Geometry & MOs

Info

ID:	202480
PubChem CID:	79679339
Reduced:	NF2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-91.69
Dipole, Da:	3.75
IP(EA), eV:	-9.64(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-pyrrolidin-1-ylbenzoic acid

Drug info:

PubChemData

Smile

CC1CCCC1(C2=CC(=CC(=C2)F)F)N

DOS

IR

Vibrations