Geometry & MOs

Info

ID:	205939
PubChem CID:	80179992
Reduced:	BrNSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-151.17
Dipole, Da:	6.85
IP(EA), eV:	-9.12(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br)C

DOS

IR

Vibrations