Geometry & MOs

Info

ID:

433629

PubChem CID:

135173769

Reduced:

N2H7C8 (2)

Stoich.:

A2B7C8 (2)

Weight, g/mol:

634.293536

ΔHf, kcal/mol:

106.0

Dipole, Da:

2.78

IP(EA), eV:

 -8.39(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC=CC3=NC(=CN=C32)C=C

DOS

IR

Vibrations