Geometry & MOs

Info

ID:	165851
PubChem CID:	74605259
Reduced:	N3O4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	448.180978
ΔH_f, kcal/mol:	37.22
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.850649
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-3-[2-(difluoromethoxy)phenyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+](C)CC2=CC(=NO2)C3=CC=CC=C3OC

DOS

IR

Vibrations