Geometry & MOs

Info

ID:	15070
PubChem CID:	428751
Reduced:	O2N7H9C12 (1)
Stoich.:	A2B7C9D12 (1)
Weight, g/mol:	283.081773
ΔH_f, kcal/mol:	101.84
Dipole, Da:	6.07
IP(EA), eV:	-9.92(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-amino-5H-purin-8-yl)diazenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)N=NC2=NC3C(=NC=NC3=N2)N

DOS

IR

Vibrations