Geometry & MOs

Info

ID:	35452
PubChem CID:	7979893
Reduced:	ClN2O5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-100.23
Dipole, Da:	6.54
IP(EA), eV:	-9.32(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations