Geometry & MOs

Info

ID:	339018
PubChem CID:	127260029
Reduced:	NSO5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	325.098394
ΔH_f, kcal/mol:	-101.2
Dipole, Da:	5.19
IP(EA), eV:	-10.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-nitrocyclohexen-1-yl)propyl benzenesulfonate

Drug info:

PubChemData

Smile

C1C=C(CC1CCOS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations