Geometry & MOs

Info

ID:	376669
PubChem CID:	134222692
Reduced:	OC13H24 (1)
Stoich.:	AB13C24 (1)
Weight, g/mol:	212.214016
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	1.33
IP(EA), eV:	-9.55(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-4-(3,3-dimethylbutyl)-2,4-dimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)CC[C@]1(CC[C@H](O1)C(=C)C)C

DOS

IR

Vibrations