Geometry & MOs

Info

ID:

433933

PubChem CID:

135174080

Reduced:

ClO3N8C42H51 (1)

Stoich.:

AB3C8D42E51 (1)

Weight, g/mol:

606.262235

ΔHf, kcal/mol:

-43.83

Dipole, Da:

1.38

IP(EA), eV:

 -8.28(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN[C@H](C)CO)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)CCC7CCC(CC7)CO)Cl

DOS

IR

Vibrations