Geometry & MOs

Info

ID:	374021
PubChem CID:	131322419
Reduced:	O2F3N3H6C8 (1)
Stoich.:	A2B3C3D6E8 (1)
Weight, g/mol:	233.041211
ΔH_f, kcal/mol:	-184.35
Dipole, Da:	4.83
IP(EA), eV:	-9.33(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-3-hydroxy-2-(trifluoromethoxy)pyridin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations