Geometry & MOs

Info

ID:	295491
PubChem CID:	117531341
Reduced:	FN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	327.01062
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	3.34
IP(EA), eV:	-9.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromophenyl)methoxycarbonyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC1N)C(=O)OCC2=CC(=CC=C2)F

DOS

IR

Vibrations