Geometry & MOs

Info

ID:	394433
PubChem CID:	135022991
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-21.92
Dipole, Da:	4.48
IP(EA), eV:	-9.56(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11'-methylspiro[oxirane-2,8'-tricyclo[5.2.2.01,5]undeca-3,10-diene]-9'-one

Drug info:

PubChemData

Smile

CC1=CC2C(CC1C3(C2=O)CO3)C=C

DOS

IR

Vibrations