Geometry & MOs

Info

ID:

433937

PubChem CID:

135174084

Reduced:

ClO2N5C22H24 (1)

Stoich.:

AB2C5D22E24 (1)

Weight, g/mol:

712.384937

ΔHf, kcal/mol:

61.51

Dipole, Da:

3.09

IP(EA), eV:

 -9.44(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-methyl-2-[[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC1=C(C(=NC(=N1)Cl)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations