Geometry & MOs

Info

ID:	45541
PubChem CID:	10514731
Reduced:	ClO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	249.122575
ΔH_f, kcal/mol:	-211.1
Dipole, Da:	5.19
IP(EA), eV:	-10.17(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]methyl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@@H](CC(=C)Cl)C(=O)O

DOS

IR

Vibrations