Geometry & MOs

Info

ID:

399553

PubChem CID:

135040911

Reduced:

NO2C13H14 (1)

Stoich.:

AB2C13D14 (1)

Weight, g/mol:

200.064886

ΔHf, kcal/mol:

-22.98

Dipole, Da:

5.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.965720

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1,6-difluorobicyclo[4.1.0]hepta-2,4-diene-7-carboxylate

Drug info:

PubChemData

Smile

CC1(COC(=O)[N+]1=C=CC2=CC=CC=C2)C

DOS

IR

Vibrations