Geometry & MOs

Info

ID:	47775
PubChem CID:	10535208
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	1.24
IP(EA), eV:	-9.97(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,4R)-1-methyl-4-propan-2-ylcyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCCCCC(C=C)C(CO)O

DOS

IR

Vibrations