Geometry & MOs

Info

ID:

427995

PubChem CID:

135165660

Reduced:

ClO2N9C30H30 (1)

Stoich.:

AB2C9D30E30 (1)

Weight, g/mol:

611.252399

ΔHf, kcal/mol:

47.9

Dipole, Da:

5.54

IP(EA), eV:

 -9.01(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-cyanophenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3C#N)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCNC6)Cl

DOS

IR

Vibrations