Geometry & MOs

Info

ID:	373974
PubChem CID:	131321909
Reduced:	ClN2O2F3H4C8 (1)
Stoich.:	AB2C2D3E4F8 (1)
Weight, g/mol:	251.99134
ΔH_f, kcal/mol:	-199.07
Dipole, Da:	5.73
IP(EA), eV:	-10.17(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations