Geometry & MOs

Info

ID:

12843

PubChem CID:

146682

Reduced:

OH4C5N5 (1)

Stoich.:

AB4C5D5 (1)

Weight, g/mol:

150.041585

ΔHf, kcal/mol:

88.57

Dipole, Da:

3.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.797891

Charge, e:

 -1

Chem-info

IUPAC name:

7-oxidopurin-6-amine

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N=CN2[O-])N

DOS

IR

Vibrations