Geometry & MOs

Info

ID:	220590
PubChem CID:	85197920
Reduced:	NSO6H13C15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	334.119166
ΔH_f, kcal/mol:	-95.65
Dipole, Da:	11.68
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[4-(4-methylphenyl)-5-oxo-3-phenyl-1,2,4-triazin-4-ium-6-ylidene]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(S1)OC)C=CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations