Geometry & MOs

Info

ID:	54988
PubChem CID:	17389627
Reduced:	ClNC11H22 (1)
Stoich.:	ABC11D22 (1)
Weight, g/mol:	341.127466
ΔH_f, kcal/mol:	-72.87
Dipole, Da:	6.27
IP(EA), eV:	-9.72(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalic acid;propan-2-yl (3S)-2-(4-fluorophenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(NCC1)C2CCCC2.Cl

DOS

IR

Vibrations