Geometry & MOs

Info

ID:	198273
PubChem CID:	79079168
Reduced:	ClFN3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	249.030504
ΔH_f, kcal/mol:	25.78
Dipole, Da:	2.42
IP(EA), eV:	-10.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-nitro-2-(pyridin-4-ylmethyl)pyridine

Drug info:

PubChemData

Smile

C1=CN=CC=C1CC2=NC(=NC=C2F)Cl

DOS

IR

Vibrations