Geometry & MOs

Info

ID:	196097
PubChem CID:	78780543
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-109.86
Dipole, Da:	2.16
IP(EA), eV:	-8.87(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NNC(=O)CSC(C)(C)C

DOS

IR

Vibrations