Geometry & MOs

Info

ID:	201495
PubChem CID:	79545977
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	313.04775
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	3.41
IP(EA), eV:	-8.69(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CC1CCCN1CCN2CCOCC2

DOS

IR

Vibrations