Geometry & MOs

Info

ID:

144337

PubChem CID:

53351760

Reduced:

BrFO2N3H16C17 (1)

Stoich.:

ABC2D3E16F17 (1)

Weight, g/mol:

219.068901

ΔHf, kcal/mol:

-22.29

Dipole, Da:

3.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750865

Charge, e:

 -1

Chem-info

IUPAC name:

phenyl(pyridin-4-yl)methanamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)F)NCCO.[Br-]

DOS

IR

Vibrations