Geometry & MOs

Info

ID:	375153
PubChem CID:	131472696
Reduced:	ClF3H3N3O3C6 (1)
Stoich.:	AB3C3D3E3F6 (1)
Weight, g/mol:	256.981503
ΔH_f, kcal/mol:	-170.95
Dipole, Da:	8.6
IP(EA), eV:	-9.79(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-nitro-2-(trifluoromethoxy)pyridin-3-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)[N+](=O)[O-])OC(F)(F)F)Cl)N

DOS

IR

Vibrations