Geometry & MOs

Info

ID:	397811
PubChem CID:	135030773
Reduced:	FON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	4.44
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-oxo-6-phenyl-2,5-dihydro-1,2,4-triazin-4-yl)benzoate

Drug info:

PubChemData

Smile

C1C(=NNC(=O)N1C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations