Geometry & MOs

Info

ID:	137607
PubChem CID:	52233539
Reduced:	ON6C10H10 (1)
Stoich.:	AB6C10D10 (1)
Weight, g/mol:	362.142604
ΔH_f, kcal/mol:	53.04
Dipole, Da:	2.42
IP(EA), eV:	-8.46(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-ium-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CC3=NC(=NC=C3C2=O)N

DOS

IR

Vibrations