Geometry & MOs

Info

ID:	492
PubChem CID:	2856
Reduced:	ClON6C16H19 (1)
Stoich.:	ABC6D16E19 (1)
Weight, g/mol:	346.130887
ΔH_f, kcal/mol:	20.17
Dipole, Da:	5.1
IP(EA), eV:	-8.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations