Geometry & MOs

Info

ID:	387954
PubChem CID:	134987512
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	249.98546
ΔH_f, kcal/mol:	-16.3
Dipole, Da:	2.36
IP(EA), eV:	-8.24(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-iodoethynyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1([C@@H]2CC=C([C@H]1C2)/C=C/OC)C

DOS

IR

Vibrations