Geometry & MOs

Info

ID:

433618

PubChem CID:

135173758

Reduced:

BrClN3C21H23 (1)

Stoich.:

ABC3D21E23 (1)

Weight, g/mol:

641.347824

ΔHf, kcal/mol:

71.15

Dipole, Da:

6.28

IP(EA), eV:

 -8.46(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-2-oxo-5-(pyrrolidin-1-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C1=C(N=CC(=C1)CN2CCCC2)C(=C)NC3=C(C(=CC=C3)Br)Cl

DOS

IR

Vibrations