Geometry & MOs

Info

ID:	376667
PubChem CID:	134222690
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	210.198365
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	1.95
IP(EA), eV:	-9.56(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-4-[(E)-3,3-dimethylbut-1-enyl]-2,4-dimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)/C=C/[C@]1(CC[C@H](O1)C(=C)C)C

DOS

IR

Vibrations