Geometry & MOs

Info

ID:	340389
PubChem CID:	127262400
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	170.167065
ΔH_f, kcal/mol:	-183.21
Dipole, Da:	4.04
IP(EA), eV:	-10.26(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,6R)-6-ethyl-2,2-dimethylcyclohexyl]methanol

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)O[C@H]1CCCC[C@@H]1CO

DOS

IR

Vibrations