Geometry & MOs

Info

ID:

433714

PubChem CID:

135173854

Reduced:

ClON4H16C17 (2)

Stoich.:

ABC4D16E17 (2)

Weight, g/mol:

630.08941

ΔHf, kcal/mol:

37.87

Dipole, Da:

5.72

IP(EA), eV:

 -8.32(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylphenyl]-2-chlorophenyl]-5-formyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(CN(CC2)C=O)N=C1C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)Cl

DOS

IR

Vibrations