Geometry & MOs

Info

ID:	80290
PubChem CID:	49833854
Reduced:	ON10C24H28 (1)
Stoich.:	AB10C24D28 (1)
Weight, g/mol:	519.270636
ΔH_f, kcal/mol:	111.3
Dipole, Da:	4.45
IP(EA), eV:	-8.77(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-[9-methyl-2-(2-methylimidazo[4,5-c]pyridin-3-yl)-6-morpholin-4-ylpurin-8-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1C3=NC4=C(C(=N3)N5CCOCC5)N=C(N4C)C6=NC=NN6C(C)C

DOS

IR

Vibrations