Geometry & MOs

Info

ID:	321492
PubChem CID:	126666318
Reduced:	SN3O4C44H59 (1)
Stoich.:	AB3C4D44E59 (1)
Weight, g/mol:	297.045109
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	5.73
IP(EA), eV:	-8.15(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(2-thiophen-2-ylethyl)-7H-purin-6-one;hydrochloride

Drug info:

PubChemData

Smile

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCN1C(=O)CC(C2=CC=CC=C21)OCCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4

DOS

IR

Vibrations