Geometry & MOs

Info

ID:

442071

PubChem CID:

135249072

Reduced:

O3N6C32H40 (1)

Stoich.:

A3B6C32D40 (1)

Weight, g/mol:

501.27399

ΔHf, kcal/mol:

-74.04

Dipole, Da:

9.62

IP(EA), eV:

 -8.4(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[2-methyl-6-(methylamino)pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCN(C1=CC(=CC(=C1C)C(=O)NCC2=C(C=C(NC2=O)C)C)C3=CN=C(C=C3)N4CCN(CC4)C)C(=O)C5CC5

DOS

IR

Vibrations