Geometry & MOs

Info

ID:	389638
PubChem CID:	134994220
Reduced:	NSC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	65.35
Dipole, Da:	1.08
IP(EA), eV:	-8.93(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-benzyl-1-oxidopyrrolidin-1-ium-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CS2)C3CC3

DOS

IR

Vibrations