Geometry & MOs

Info

ID:	264329
PubChem CID:	103454326
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-36.66
Dipole, Da:	3.43
IP(EA), eV:	-9.17(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylcyclohexyl)butane-1,2-diol

Drug info:

PubChemData

Smile

CC/C=C/C(=O)CC1=CC(=CC(=C1)C)C

DOS

IR

Vibrations