Geometry & MOs

Info

ID:	137915
PubChem CID:	52283614
Reduced:	OSN2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	290.145285
ΔH_f, kcal/mol:	14.97
Dipole, Da:	4.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.842627
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)C[NH+]2CCC[C@H]2C3=CSC=C3

DOS

IR

Vibrations