Geometry & MOs

Info

ID:	202509
PubChem CID:	79679706
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	3.75
IP(EA), eV:	-8.94(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-pyrrolidin-1-ylbenzoic acid

Drug info:

PubChemData

Smile

CC1CCCC1(C#N)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations