Geometry & MOs

Info

ID:	11954
PubChem CID:	124228
Reduced:	ON3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	187.074562
ΔH_f, kcal/mol:	50.06
Dipole, Da:	7.07
IP(EA), eV:	-9.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-phenyl-1,2,4-triazin-1-ium-5-olate

Drug info:

PubChemData

Smile

C[N+]1=NC(=NC(=C1)[O-])C2=CC=CC=C2

DOS

IR

Vibrations