Geometry & MOs

Info

ID:	433901
PubChem CID:	135174048
Reduced:	ClO3N5C24H26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	623.348492
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	6.49
IP(EA), eV:	-8.58(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-7-(propylaminomethyl)pyrido[3,2-d]pyrimidin-4-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

CC(C)N1C2=C(C(=NC(=N2)Cl)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC)NC1=O

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

CC(C)N1C2=C(C(=NC(=N2)Cl)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC)NC1=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):