Geometry & MOs

Info

ID:	419032
PubChem CID:	135107368
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-75.67
Dipole, Da:	5.44
IP(EA), eV:	-9.44(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)CNC(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations