Geometry & MOs

Info

ID:	27566
PubChem CID:	822209
Reduced:	O3N4C8H8 (1)
Stoich.:	A3B4C8D8 (1)
Weight, g/mol:	302.057053
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	4.56
IP(EA), eV:	-9.83(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1,3-dimethyl-7-phenylpteridine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N=CC(=O)N2

DOS

IR

Vibrations