Geometry & MOs

Info

ID:	52711
PubChem CID:	12015750
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	2.18
IP(EA), eV:	-9.73(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6S,7S,7aR)-6-ethenyl-7-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations