Geometry & MOs

Info

ID:

433922

PubChem CID:

135174069

Reduced:

O4N7C38H39 (1)

Stoich.:

A4B7C38D39 (1)

Weight, g/mol:

620.277886

ΔHf, kcal/mol:

-3.62

Dipole, Da:

5.97

IP(EA), eV:

 -8.43(-0.68)

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]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(O2)CN(C3)C(=O)CN4CC(C4)C(=O)O)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)C

DOS

IR

Vibrations