Geometry & MOs

Info

ID:	131166
PubChem CID:	51167828
Reduced:	ClNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	3.85
IP(EA), eV:	-9.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1Cl)C(=CC(=O)O2)CN3CCOCC3

DOS

IR

Vibrations