Geometry & MOs

Info

ID:	249669
PubChem CID:	103091224
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	182.167065
ΔH_f, kcal/mol:	-109.49
Dipole, Da:	4.97
IP(EA), eV:	-8.5(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methylcyclohexyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C\C1=C(C=C(C=C1)OC)OC)/C)O

DOS

IR

Vibrations