Geometry & MOs

Info

ID:	18912
PubChem CID:	550914
Reduced:	O3N5H7C9 (1)
Stoich.:	A3B5C7D9 (1)
Weight, g/mol:	233.054889
ΔH_f, kcal/mol:	64.31
Dipole, Da:	5.35
IP(EA), eV:	-10.11(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=NN2C=NN=C2

DOS

IR

Vibrations