Geometry & MOs

Info

ID:	18275
PubChem CID:	539340
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-118.23
Dipole, Da:	1.95
IP(EA), eV:	-10.07(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)C=CC1C(CCCC1(C)O)(C)C

DOS

IR

Vibrations