Geometry & MOs

Info

ID:	152151
PubChem CID:	56311018
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-125.61
Dipole, Da:	3.09
IP(EA), eV:	-8.43(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations