Geometry & MOs

Info

ID:	18169
PubChem CID:	538664
Reduced:	O2N5C9H9 (1)
Stoich.:	A2B5C9D9 (1)
Weight, g/mol:	219.075625
ΔH_f, kcal/mol:	10.44
Dipole, Da:	3.5
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-amino-1H-1,2,4-triazol-3-yl)iminomethyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)O)C=NC2=NNC(=N2)N

DOS

IR

Vibrations