Geometry & MOs

Info

ID:	142515
PubChem CID:	53048474
Reduced:	FO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	337.130065
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	7.26
IP(EA), eV:	-8.94(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-4-ium-2-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=O)N(N=C2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations