Geometry & MOs

Info

ID:	288626
PubChem CID:	104321929
Reduced:	BrNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-91.68
Dipole, Da:	4.66
IP(EA), eV:	-9.49(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)N1CC2CCC(C2C1)O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations