Geometry & MOs

Info

ID:	240732
PubChem CID:	93617220
Reduced:	SN5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	122.48
Dipole, Da:	4.85
IP(EA), eV:	-8.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2S)-2-hydroxy-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=NN=NN2C3CC3)C4=CSC=C4

DOS

IR

Vibrations