Geometry & MOs

Info

ID:	191633
PubChem CID:	78170944
Reduced:	N3O5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	208.08345
ΔH_f, kcal/mol:	-145.51
Dipole, Da:	7.18
IP(EA), eV:	-10.19(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(6-amino-7H-purin-1-ium-1-yl)propanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1C(C(=O)NC(C1C2=CC=CC=N2)C(=O)OC)C#N

DOS

IR

Vibrations