Geometry & MOs

Info

ID:	326330
PubChem CID:	126687339
Reduced:	F2N2O3C21H24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-171.27
Dipole, Da:	4.28
IP(EA), eV:	-9.22(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CC(=O)C2=NC=C(C=C2)O)CO)CCCC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations