Geometry & MOs

Info

ID:	399683
PubChem CID:	135041750
Reduced:	ClN4H7C11 (1)
Stoich.:	AB4C7D11 (1)
Weight, g/mol:	225.005352
ΔH_f, kcal/mol:	111.69
Dipole, Da:	3.56
IP(EA), eV:	-9.56(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2,4-triazol-1-yl)-2-nitropyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C3N2C(=NC=C3)Cl

DOS

IR

Vibrations