Geometry & MOs

Info

ID:	433657
PubChem CID:	135173797
Reduced:	ClO3N9C41H46 (1)
Stoich.:	AB3C9D41E46 (1)
Weight, g/mol:	597.240772
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	4.3
IP(EA), eV:	-8.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[(3-ethenyl-1,7-naphthyridin-8-yl)amino]phenyl]-2-methylphenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C8CCC(CC8)(C)C(=O)O)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C8CCC(CC8)(C)C(=O)O)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):