Geometry & MOs

Info

ID:	201442
PubChem CID:	79540991
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	327.02702
ΔH_f, kcal/mol:	-160.44
Dipole, Da:	3.59
IP(EA), eV:	-9.51(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromo-3-fluorobenzoyl)pyrrolidin-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CCCOCCC(=O)N1CCCC1CC(=O)C

DOS

IR

Vibrations