Geometry & MOs

Info

ID:	152044
PubChem CID:	56310895
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-126.53
Dipole, Da:	4.0
IP(EA), eV:	-8.46(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations