Geometry & MOs

Info

ID:	18250
PubChem CID:	539177
Reduced:	O2N3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	291.100777
ΔH_f, kcal/mol:	36.32
Dipole, Da:	2.89
IP(EA), eV:	-9.29(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-1,5-diphenyl-1,2,4-triazin-6-one

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C(=O)C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations