Geometry & MOs

Info

ID:	295071
PubChem CID:	117514845
Reduced:	BrFON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	-3.84
Dipole, Da:	4.43
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=CC(=C2)F)Br)OCC3CC3)N

DOS

IR

Vibrations