Geometry & MOs

Info

ID:

429546

PubChem CID:

135169595

Reduced:

F3N3O3H15C17 (1)

Stoich.:

A3B3C3D15E17 (1)

Weight, g/mol:

223.96976

ΔHf, kcal/mol:

-158.46

Dipole, Da:

2.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.524938

Charge, e:

 0

Chem-info

IUPAC name:

5-bromo-3-cyanopyridine-2-carboximidamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=CC3=C2C=C[N+](=C3)OC)C(F)(F)F

DOS

IR

Vibrations