Geometry & MOs

Info

ID:	23423
PubChem CID:	603451
Reduced:	ClO3N5H6C9 (1)
Stoich.:	AB3C5D6E9 (1)
Weight, g/mol:	267.015917
ΔH_f, kcal/mol:	67.97
Dipole, Da:	2.46
IP(EA), eV:	-9.94(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(dihydroxyamino)-N-(1,2,4-triazol-3-ylidene)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N(O)O)C(=O)N=C2N=CN=N2)Cl

DOS

IR

Vibrations