Geometry & MOs

Info

ID:	48112
PubChem CID:	10537256
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	226.175522
ΔH_f, kcal/mol:	-112.47
Dipole, Da:	3.38
IP(EA), eV:	-9.81(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octylsulfanylcyclohexene

Drug info:

PubChemData

Smile

CCCCCC[C@H]([C@H](C)OC)C(=O)CC=C

DOS

IR

Vibrations