Geometry & MOs

Info

ID:

51183

PubChem CID:

12013818

Reduced:

N2O2C13H15 (1)

Stoich.:

A2B2C13D15 (1)

Weight, g/mol:

202.09938

ΔHf, kcal/mol:

12.02

Dipole, Da:

6.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765518

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R,6R)-6-(2-phenylethyl)-3-oxabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC/C=C/CO/C(=C/[N+]#N)/O

DOS

IR

Vibrations