Geometry & MOs

Info

ID:	216406
PubChem CID:	85086190
Reduced:	FN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	265.108936
ΔH_f, kcal/mol:	24.49
Dipole, Da:	4.58
IP(EA), eV:	-8.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-4,6-diphenyl-1,2,4,5-tetrazin-2-ium-3-one

Drug info:

PubChemData

Smile

C1C2C(C3=C1C=CC(=C3)F)NNC2NC4=CC=CC=C4

DOS

IR

Vibrations