Geometry & MOs

Info

ID:	9948
PubChem CID:	95201
Reduced:	OC5H6N6 (1)
Stoich.:	AB5C6D6 (1)
Weight, g/mol:	166.060309
ΔH_f, kcal/mol:	22.72
Dipole, Da:	5.03
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,8-diamino-3,7-dihydropurin-6-one

Drug info:

PubChemData

Smile

C12=C(NC(=NC1=O)N)N=C(N2)N

DOS

IR

Vibrations