Geometry & MOs

Info

ID:

402792

PubChem CID:

135057292

Reduced:

NC5F5H7 (1)

Stoich.:

AB5C5D7 (1)

Weight, g/mol:

132.044939

ΔHf, kcal/mol:

-250.0

Dipole, Da:

5.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754367

Charge, e:

 -1

Chem-info

IUPAC name:

cyano(phenyl)methanolate

Drug info:

PubChemData

Smile

C[N+](=CC(C(F)(F)F)(F)F)C

DOS

IR

Vibrations