Geometry & MOs

Info

ID:	26774
PubChem CID:	798284
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-155.67
Dipole, Da:	4.06
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-7-phenyl-8-oxatricyclo[4.3.0.02,7]nonan-9-one

Drug info:

PubChemData

Smile

CCC(=O)OC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)C

DOS

IR

Vibrations