Geometry & MOs

Info

ID:

427996

PubChem CID:

135165661

Reduced:

ClO2N9C32H34 (1)

Stoich.:

AB2C9D32E34 (1)

Weight, g/mol:

416.196074

ΔHf, kcal/mol:

42.47

Dipole, Da:

3.26

IP(EA), eV:

 -8.85(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-cyano-3-[2-hydroxy-3-(methylamino)phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)C)C#N

DOS

IR

Vibrations