Geometry & MOs

Info

ID:	82512
PubChem CID:	49856121
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	3.9
IP(EA), eV:	-10.05(2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-(hydroxymethyl)-4,4-dimethyl-2-methylidenecyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@]12[C@H](O1)CCC([C@@H]2CO)(C)C

DOS

IR

Vibrations