Geometry & MOs

Info

ID:	339216
PubChem CID:	127260595
Reduced:	BrSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	294.04806
ΔH_f, kcal/mol:	-121.65
Dipole, Da:	5.26
IP(EA), eV:	-10.07(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-2-butyl-6-(iodomethylidene)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)OC2CCCCC2)Br

DOS

IR

Vibrations