Geometry & MOs

Info

ID:	5224
PubChem CID:	12789
Reduced:	OH4N4C6 (1)
Stoich.:	AB4C4D6 (1)
Weight, g/mol:	148.038511
ΔH_f, kcal/mol:	52.11
Dipole, Da:	8.74
IP(EA), eV:	-9.76(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8H-pteridin-4-one

Drug info:

PubChemData

Smile

C1=CN=C2C(=NC=NC2=O)N1

DOS

IR

Vibrations