Geometry & MOs

Info

ID:	220710
PubChem CID:	85230627
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-121.16
Dipole, Da:	3.01
IP(EA), eV:	-9.5(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(2-phenylethenyl)-3-oxabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)COC(=O)N2CCCC2

DOS

IR

Vibrations