Geometry & MOs

Info

ID:	288594
PubChem CID:	104321037
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	277.147807
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	4.31
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C(C)N2CC3CCC(C3C2)O)C

DOS

IR

Vibrations