Geometry & MOs

Info

ID:	370880
PubChem CID:	127341204
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-148.0
Dipole, Da:	3.31
IP(EA), eV:	-9.32(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)N2CCOC3C2CCCC3

DOS

IR

Vibrations