Geometry & MOs

Info

ID:	417066
PubChem CID:	135091244
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	296.138559
ΔH_f, kcal/mol:	-74.98
Dipole, Da:	9.3
IP(EA), eV:	-8.58(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(7H-purin-6-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C4=NC(=CS4)C(=O)N)OCC2

DOS

IR

Vibrations