Geometry & MOs

Info

ID:	220238
PubChem CID:	85176972
Reduced:	O3H12C14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	6.77
IP(EA), eV:	-9.75(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-1-(2-phenylethenyl)-3-oxabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

C1CC2C=CC1C3=CC4C(C=C23)C(=O)OC4=O

DOS

IR

Vibrations