Geometry & MOs

Info

ID:	433910
PubChem CID:	135174057
Reduced:	FPN3O8C26H31 (1)
Stoich.:	ABC3D8E26F31 (1)
Weight, g/mol:	639.343407
ΔH_f, kcal/mol:	-407.86
Dipole, Da:	6.79
IP(EA), eV:	-9.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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=CC=CC=C1COCCNP(=O)(OC[C@@H]2[C@H]([C@@]([C@@H](O2)N3C=CC(=O)NC3=O)(C)F)O)OC4=CC=CC=C4

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=CC=CC=C1COCCNP(=O)(OC[C@@H]2[C@H]([C@@]([C@@H](O2)N3C=CC(=O)NC3=O)(C)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):