Geometry & MOs

Info

ID:	288659
PubChem CID:	104323100
Reduced:	ClN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	356.05357
ΔH_f, kcal/mol:	-91.66
Dipole, Da:	6.07
IP(EA), eV:	-9.08(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CCC(=O)NC3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations