Geometry & MOs

Info

ID:	8366
PubChem CID:	76900
Reduced:	OC5H5N5 (1)
Stoich.:	AB5C5D5 (1)
Weight, g/mol:	151.04941
ΔH_f, kcal/mol:	28.34
Dipole, Da:	11.34
IP(EA), eV:	-8.97(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1,7-dihydropurin-2-one

Drug info:

PubChemData

Smile

C1=NC2=NC(=O)NC(=C2N1)N

DOS

IR

Vibrations