Geometry & MOs

Info

ID:	151830
PubChem CID:	56310643
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	441.241627
ΔH_f, kcal/mol:	-117.09
Dipole, Da:	1.5
IP(EA), eV:	-8.46(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations