Geometry & MOs

Info

ID:	9456
PubChem CID:	89664
Reduced:	OC10H16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	3.1
IP(EA), eV:	-9.53(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=C[C@@H]([C@@H]2C[C@H]1C2(C)C)O

DOS

IR

Vibrations