Geometry & MOs

Info

ID:	132680
PubChem CID:	51400402
Reduced:	N4O5H20C23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	340.131561
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	2.68
IP(EA), eV:	-8.51(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl (2R,3S,4S,5S)-5-(4-chlorophenyl)-3-methylpyrrolidin-1-ium-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)[C@@H]2[C@H]3C(=NN=C3OC(=C2C#N)N)C4=CC5=C(C=C4)OCO5)OC

DOS

IR

Vibrations