Geometry & MOs

Info

ID:	152472
PubChem CID:	56311408
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-148.74
Dipole, Da:	4.26
IP(EA), eV:	-9.09(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

DOS

IR

Vibrations