Geometry & MOs

Info

ID:	153047
PubChem CID:	56312168
Reduced:	SN4O4C25H34 (1)
Stoich.:	AB4C4D25E34 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-143.9
Dipole, Da:	4.84
IP(EA), eV:	-9.37(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations