Geometry & MOs

Info

ID:	48878
PubChem CID:	11528429
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	172.182715
ΔH_f, kcal/mol:	-131.99
Dipole, Da:	1.03
IP(EA), eV:	-10.0(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,6R)-2,4,6-trimethyloctan-1-ol

Drug info:

PubChemData

Smile

CC1CCC([C@H]([C@@H]1O)O)C(C)C

DOS

IR

Vibrations