Geometry & MOs

Info

ID:	14312
PubChem CID:	408939
Reduced:	O3N5H7C11 (1)
Stoich.:	A3B5C7D11 (1)
Weight, g/mol:	257.054889
ΔH_f, kcal/mol:	104.95
Dipole, Da:	7.61
IP(EA), eV:	-10.56(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-nitrophenoxy)-5H-purine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])OC2=NC=NC3=NC=NC32

DOS

IR

Vibrations