Geometry & MOs

Info

ID:	402639
PubChem CID:	135056667
Reduced:	IOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	222.198365
ΔH_f, kcal/mol:	-7.03
Dipole, Da:	2.31
IP(EA), eV:	-9.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3,3-dimethylbut-1-enyl]-2,4,4-trimethylcyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

C1CC=C([C@](C1)(C2=CC=CC=C2)O)I

DOS

IR

Vibrations