Geometry & MOs

Info

ID:	22261
PubChem CID:	596436
Reduced:	O2N4C9H10 (1)
Stoich.:	A2B4C9D10 (1)
Weight, g/mol:	206.080376
ΔH_f, kcal/mol:	-31.73
Dipole, Da:	8.54
IP(EA), eV:	-9.74(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-propylpteridine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C=CN=C2C1=NC(=O)NC2=O

DOS

IR

Vibrations