Geometry & MOs

Info

ID:	209586
PubChem CID:	80690849
Reduced:	NBr2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	4.43
IP(EA), eV:	-8.94(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2-phenylpropylsulfonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OC)Br)CC(COC)Br

DOS

IR

Vibrations