Geometry & MOs

Info

ID:

433598

PubChem CID:

135173738

Reduced:

ClO3N7C41H46 (1)

Stoich.:

AB3C7D41E46 (1)

Weight, g/mol:

579.251336

ΔHf, kcal/mol:

-42.84

Dipole, Da:

4.05

IP(EA), eV:

 -8.17(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN=C2C(=C1)C=CN=C2NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)CCC7CCC(CC7)C(=O)OC)Cl

DOS

IR

Vibrations