Geometry & MOs

Info

ID:

411382

PubChem CID:

135084205

Reduced:

N2O2C10H11 (1)

Stoich.:

A2B2C10D11 (1)

Weight, g/mol:

243.98991

ΔHf, kcal/mol:

-0.77

Dipole, Da:

6.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768143

Charge, e:

 0

Chem-info

IUPAC name:

4-bromo-4-fluoro-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)O/C(=C\[N+]#N)/O

DOS

IR

Vibrations