Geometry & MOs

Info

ID:	374018
PubChem CID:	131322403
Reduced:	O2F3N3H6C8 (1)
Stoich.:	A2B3C3D6E8 (1)
Weight, g/mol:	233.041211
ΔH_f, kcal/mol:	-183.3
Dipole, Da:	4.6
IP(EA), eV:	-8.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=C(N1)CC#N)OC(F)(F)F)N

DOS

IR

Vibrations