Geometry & MOs

Info

ID:	1493
PubChem CID:	4592
Reduced:	ON6C15H18 (1)
Stoich.:	AB6C15D18 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	39.79
Dipole, Da:	1.97
IP(EA), eV:	-8.36(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(benzylamino)-9-methylpurin-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

CN1C=NC2=C(N=C(N=C21)NCCO)NCC3=CC=CC=C3

DOS

IR

Vibrations