Geometry & MOs

Info

ID:	237176
PubChem CID:	92717761
Reduced:	NO6C25H33 (1)
Stoich.:	AB6C25D33 (1)
Weight, g/mol:	438.217952
ΔH_f, kcal/mol:	-227.29
Dipole, Da:	1.22
IP(EA), eV:	-8.62(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-3-[(4-fluorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations