Geometry & MOs

Info

ID:	356626
PubChem CID:	127291992
Reduced:	NOC3H4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	371.243359
ΔH_f, kcal/mol:	-131.08
Dipole, Da:	5.62
IP(EA), eV:	-9.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C(=NC=N1)OC)C(=O)NC2CCCNC2=O

DOS

IR

Vibrations