Geometry & MOs

Info

ID:	47916
PubChem CID:	10535820
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	1.17
IP(EA), eV:	-10.02(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aR,7aR)-1-ethenyl-7a-hydroxy-3a-methyl-1,2,3,5,6,7-hexahydroinden-4-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](OC(O[C@@H]1C=C)(C)C)CC#C

DOS

IR

Vibrations