Geometry & MOs

Info

ID:	19140
PubChem CID:	555329
Reduced:	N4O4H8C9 (1)
Stoich.:	A4B4C8D9 (1)
Weight, g/mol:	236.054555
ΔH_f, kcal/mol:	59.65
Dipole, Da:	7.01
IP(EA), eV:	-9.8(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-nitro-1-oxido-4-phenoxytriazol-1-ium

Drug info:

PubChemData

Smile

CN1N=C(C(=[N+]1[O-])[N+](=O)[O-])OC2=CC=CC=C2

DOS

IR

Vibrations