Geometry & MOs

Info

ID:	374020
PubChem CID:	131322406
Reduced:	O2F3N3H6C8 (1)
Stoich.:	A2B3C3D6E8 (1)
Weight, g/mol:	233.041211
ΔH_f, kcal/mol:	-187.97
Dipole, Da:	2.25
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations