Geometry & MOs

Info

ID:	397810
PubChem CID:	135030772
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	269.09644
ΔH_f, kcal/mol:	5.2
Dipole, Da:	5.54
IP(EA), eV:	-8.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-6-phenyl-2,5-dihydro-1,2,4-triazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC(=NNC2=O)C3=CC=CC=C3

DOS

IR

Vibrations