Geometry & MOs

Info

ID:

413803

PubChem CID:

135086753

Reduced:

N2O2C8H9 (1)

Stoich.:

A2B2C8D9 (1)

Weight, g/mol:

331.74369

ΔHf, kcal/mol:

-18.06

Dipole, Da:

3.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.973887

Charge, e:

 0

Chem-info

IUPAC name:

1,1,1-tribromo-3-chloro-3-fluoropropane

Drug info:

PubChemData

Smile

C1C/[N+](=C/C2=CC=CO2)/NC1=O

DOS

IR

Vibrations