Geometry & MOs

Info

ID:	48003
PubChem CID:	10536361
Reduced:	OSC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	208.092186
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	1.32
IP(EA), eV:	-9.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-(thiophen-2-ylmethylidene)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCC(=O)SC1=CC=CC=C1C(C)C

DOS

IR

Vibrations