Geometry & MOs

Info

ID:	413941
PubChem CID:	135086892
Reduced:	OC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-73.65
Dipole, Da:	1.97
IP(EA), eV:	-9.45(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-benzylidene-3a,4,5,6,7,7a-hexahydro-1H-indol-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@]2(C1)CCO2)C(C)C

DOS

IR

Vibrations