Geometry & MOs

Info

ID:

433928

PubChem CID:

135174075

Reduced:

FO2N6C16H17 (1)

Stoich.:

AB2C6D16E17 (1)

Weight, g/mol:

621.273134

ΔHf, kcal/mol:

-66.37

Dipole, Da:

1.96

IP(EA), eV:

 -8.73(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2NC1=O)N)NC3=C(C=C(C=C3)C(=O)C)F

DOS

IR

Vibrations