Geometry & MOs

Info

ID:	326273
PubChem CID:	126687263
Reduced:	FON6C20H25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-10.29
Dipole, Da:	1.85
IP(EA), eV:	-8.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@@H]1CNC2=NC(=NC=C2F)C3=CNC4C3=CC=CN4

DOS

IR

Vibrations