Geometry & MOs

Info

ID:	136735
PubChem CID:	52091277
Reduced:	O3N6C20H20 (1)
Stoich.:	A3B6C20D20 (1)
Weight, g/mol:	315.139191
ΔH_f, kcal/mol:	28.85
Dipole, Da:	6.72
IP(EA), eV:	-8.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-7H-purin-6-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN(C2=CC=CC=N2)C3=NC=NC4=C3NC=N4

DOS

IR

Vibrations