Geometry & MOs

Info

ID:	52609
PubChem CID:	12015547
Reduced:	OC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	2.07
IP(EA), eV:	-9.77(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6Z,9aR)-2-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@@H]([C@@H]1CO)C=C2

DOS

IR

Vibrations