Geometry & MOs

Info

ID:	335444
PubChem CID:	127254306
Reduced:	ClN4O4H7C9 (1)
Stoich.:	AB4C4D7E9 (1)
Weight, g/mol:	180.020274
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	4.16
IP(EA), eV:	-10.1(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=CC=C1N2C=NC(=N2)Cl.C(=O)(C(=O)O)O

DOS

IR

Vibrations