Geometry & MOs

Info

ID:	222555
PubChem CID:	85305514
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	369.184112
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	1.62
IP(EA), eV:	-9.58(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibenzyl-1-methyl-3-phenyl-5H-1,2,4-triazin-6-one

Drug info:

PubChemData

Smile

CC(=NO)CCC(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations