Geometry & MOs

Info

ID:	429660
PubChem CID:	135169710
Reduced:	ClON3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	241.036652
ΔH_f, kcal/mol:	32.71
Dipole, Da:	6.72
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-(1,5-dihydrotriazol-2-yl)-6-methyl-5-nitropyridine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)Cl)N2C=C(C=N2)C=O

DOS

IR

Vibrations