Geometry & MOs

Info

ID:	283670
PubChem CID:	103997378
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	281.091275
ΔH_f, kcal/mol:	-142.11
Dipole, Da:	5.47
IP(EA), eV:	-9.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7H-purin-6-yl)-1,3-dihydroisoindole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)N1CC2=C(C1)C=C(C=C2)C(=O)O

DOS

IR

Vibrations