Geometry & MOs

Info

ID:	152830
PubChem CID:	56311906
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-90.48
Dipole, Da:	3.15
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations