Geometry & MOs

Info

ID:	152463
PubChem CID:	56311395
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-106.64
Dipole, Da:	1.9
IP(EA), eV:	-8.9(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations