Geometry & MOs

Info

ID:

433903

PubChem CID:

135174050

Reduced:

O3N7C43H47 (1)

Stoich.:

A3B7C43D47 (1)

Weight, g/mol:

622.293536

ΔHf, kcal/mol:

3.44

Dipole, Da:

2.97

IP(EA), eV:

 -8.07(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[3-[[3-[[ethyl(propyl)amino]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C1=C(N=CC(=C1)CN2CC[C@H](C2)O)C(=C)NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CC[C@H](C7)C(=O)O)C

DOS

IR

Vibrations