Geometry & MOs

Info

ID:	150720
PubChem CID:	53790415
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	282.156615
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	5.06
IP(EA), eV:	-9.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,7-dimethylpurin-9-ium-6-one

Drug info:

PubChemData

Smile

CCN1C(=CC(=O)N(C1=O)C2=CCCCCC2)O

DOS

IR

Vibrations