Geometry & MOs

Info

ID:	353697
PubChem CID:	127285274
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-105.08
Dipole, Da:	3.76
IP(EA), eV:	-8.88(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-3-oxopiperazin-1-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)NCC2CC3=CC=CC=C3O2

DOS

IR

Vibrations