Geometry & MOs

Info

ID:	260630
PubChem CID:	103198077
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	244.143645
ΔH_f, kcal/mol:	-39.44
Dipole, Da:	1.88
IP(EA), eV:	-8.67(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-7H-purine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=C1)CN2CCCC(C2)C(=O)NC

DOS

IR

Vibrations