Geometry & MOs

Info

ID:	77431
PubChem CID:	48430630
Reduced:	BrNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	388.04563
ΔH_f, kcal/mol:	-47.15
Dipole, Da:	5.51
IP(EA), eV:	-9.21(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC1CC2=CC=C(C=C2)Br

DOS

IR

Vibrations