Geometry & MOs

Info

ID:	336654
PubChem CID:	127255661
Reduced:	BN3O4C22H36 (1)
Stoich.:	AB3C4D22E36 (1)
Weight, g/mol:	286.99572
ΔH_f, kcal/mol:	-252.6
Dipole, Da:	1.92
IP(EA), eV:	-9.26(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(5-bromo-2-fluorophenyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(C4(C3)CCC4)C(=O)OC(C)(C)C

DOS

IR

Vibrations