Geometry & MOs

Info

ID:	209476
PubChem CID:	80677961
Reduced:	BrNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	282.98778
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	2.23
IP(EA), eV:	-9.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(bromomethyl)pyrrolidin-1-yl]-2-methylsulfonylethanone

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N2CCCC2CBr

DOS

IR

Vibrations