Geometry & MOs

Info

ID:	264556
PubChem CID:	103469421
Reduced:	OF3N3H6C8 (1)
Stoich.:	AB3C3D6E8 (1)
Weight, g/mol:	279.061946
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	4.82
IP(EA), eV:	-9.18(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1N)OCC(F)(F)F)C#N

DOS

IR

Vibrations