Geometry & MOs

Info

ID:	224554
PubChem CID:	85344729
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-66.57
Dipole, Da:	2.34
IP(EA), eV:	-9.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[oxirane-2,11'-tricyclo[7.2.2.02,8]trideca-6,12-diene]-10'-one

Drug info:

PubChemData

Smile

CC1=CCCCC1OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations