Geometry & MOs

Info

ID:	24343
PubChem CID:	609468
Reduced:	O2N5H7C8 (1)
Stoich.:	A2B5C7D8 (1)
Weight, g/mol:	205.059974
ΔH_f, kcal/mol:	102.09
Dipole, Da:	3.64
IP(EA), eV:	-9.98(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dihydroxy-3-(5-imino-1,2,4-triazol-3-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N(O)O)C2=NC(=N)N=N2

DOS

IR

Vibrations