Geometry & MOs

Info

ID:	361413
PubChem CID:	127303311
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	288.206245
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	4.87
IP(EA), eV:	-8.83(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]purin-6-amine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1CNC3=C(C=C(C=N3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations