Geometry & MOs

Info

ID:	370886
PubChem CID:	127341210
Reduced:	SN4O4C16H28 (1)
Stoich.:	AB4C4D16E28 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-176.23
Dipole, Da:	2.78
IP(EA), eV:	-9.34(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations