Geometry & MOs

Info

ID:	240734
PubChem CID:	93617229
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	69.23
Dipole, Da:	3.16
IP(EA), eV:	-9.06(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)CC2=NC(=NO2)C3CC3)C4=CSC=C4

DOS

IR

Vibrations