Geometry & MOs

Info

ID:	152252
PubChem CID:	56311145
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-119.26
Dipole, Da:	2.57
IP(EA), eV:	-8.68(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC(=O)NC3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations