Geometry & MOs

Info

ID:	165680
PubChem CID:	74583120
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	193.092521
ΔH_f, kcal/mol:	-13.24
Dipole, Da:	21.24
IP(EA), eV:	-8.19(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylpyrrolidin-1-ium-3-thiolate

Drug info:

PubChemData

Smile

C1C[NH+](CC1=CC(=O)[O-])CC2=CC=CC=C2

DOS

IR

Vibrations