Geometry & MOs

Info

ID:

447119

PubChem CID:

135280430

Reduced:

FCl2O3N4C21H21 (1)

Stoich.:

AB2C3D4E21F21 (1)

Weight, g/mol:

653.394105

ΔHf, kcal/mol:

-83.58

Dipole, Da:

9.53

IP(EA), eV:

 -7.68(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpiperidin-4-yl)amino]-5-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

COC\1=C2NC=C(N2C=C(/C1=C/3\C(=O)C=CC=C3F)Cl)N4CCN(CC4)C(=O)CCCl

DOS

IR

Vibrations