Geometry & MOs

Info

ID:	370903
PubChem CID:	127341232
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	4.12
IP(EA), eV:	-9.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-cyclopropyl-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC2=NN3C(=O)C=C(N=C3S2)C

DOS

IR

Vibrations