Geometry & MOs

Info

ID:	25309
PubChem CID:	622696
Reduced:	ClON2H9C15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	53.22
Dipole, Da:	4.28
IP(EA), eV:	-9.46(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-8-oxido-6-phenylpteridin-8-ium-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations