Geometry & MOs

Info

ID:	374118
PubChem CID:	131323937
Reduced:	ClOF3N3H5C8 (1)
Stoich.:	ABC3D3E5F8 (1)
Weight, g/mol:	251.007324
ΔH_f, kcal/mol:	-142.47
Dipole, Da:	3.28
IP(EA), eV:	-10.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-4-chloro-2-(trifluoromethoxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)OC(F)(F)F)Cl)CN)C#N

DOS

IR

Vibrations