Geometry & MOs

Info

ID:	229801
PubChem CID:	87569098
Reduced:	OC11H22 (2)
Stoich.:	AB11C22 (2)
Weight, g/mol:	379.004799
ΔH_f, kcal/mol:	-192.4
Dipole, Da:	1.96
IP(EA), eV:	-10.66(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,4-dichlorophenyl)-5-nitrocyclohexen-1-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)OCC(CCCC)CCCCCC

DOS

IR

Vibrations