Geometry & MOs

Info

ID:	388129
PubChem CID:	134988277
Reduced:	BrNOC12H20 (1)
Stoich.:	ABCD12E20 (1)
Weight, g/mol:	329.02766
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	3.87
IP(EA), eV:	-9.23(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-phenyl-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCCCCC/C=C(\N1CCCC1=O)/Br

DOS

IR

Vibrations