Geometry & MOs

Info

ID:	326328
PubChem CID:	126687337
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	370.149284
ΔH_f, kcal/mol:	-163.87
Dipole, Da:	7.94
IP(EA), eV:	-9.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,6aS)-5-[(3,4-difluorophenyl)methyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxypyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

CN1C[C@]2(CC2(C1)CC(=O)O)CC(=O)O

DOS

IR

Vibrations