Geometry & MOs

Info

ID:	68938
PubChem CID:	46513047
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	374.144199
ΔH_f, kcal/mol:	-111.97
Dipole, Da:	6.56
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-2-ethoxyphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations