Geometry & MOs

Info

ID:	19167
PubChem CID:	556023
Reduced:	OH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	212.08373
ΔH_f, kcal/mol:	-23.24
Dipole, Da:	4.89
IP(EA), eV:	-9.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-7-oxabicyclo[4.2.1]nona-2,4-dien-8-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3C=CC=CC2OC3=O

DOS

IR

Vibrations