Geometry & MOs

Info

ID:	357331
PubChem CID:	127293964
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	360.206245
ΔH_f, kcal/mol:	6.28
Dipole, Da:	5.82
IP(EA), eV:	-8.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-6-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]purine

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)C4=CC(=NC=N4)N5CCCC5CO

DOS

IR

Vibrations