Geometry & MOs

Info

ID:	392642
PubChem CID:	135017450
Reduced:	O3N4H10C16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	306.07529
ΔH_f, kcal/mol:	-22.37
Dipole, Da:	5.53
IP(EA), eV:	-9.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-[1,3,5]triazino[1,2-a]quinazoline-1,3,6-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[NH+]4C2=NC(=NC4=O)[O-]

DOS

IR

Vibrations