Geometry & MOs

Info

ID:	184600
PubChem CID:	77182489
Reduced:	NO5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	648.364871
ΔH_f, kcal/mol:	-162.81
Dipole, Da:	4.41
IP(EA), eV:	-10.1(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(2,2-diphenylethylamino)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)purin-9-yl]-5-(4-ethyltriazol-2-yl)cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC(C(=CC(=O)O)OC)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations