Geometry & MOs

Info

ID:	397876
PubChem CID:	135030889
Reduced:	ON3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	35.04
Dipole, Da:	4.38
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C3=NNC(=O)N(C31)C4=CC=CC=C4

DOS

IR

Vibrations