Geometry & MOs

Info

ID:	177886
PubChem CID:	76249581
Reduced:	ClN3O4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	419.165663
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	3.63
IP(EA), eV:	-8.57(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyano-4,6-dimethyl-2-oxo-3H-pyridin-5-yl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations