Geometry & MOs

Info

ID:	422183
PubChem CID:	135117352
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-129.34
Dipole, Da:	6.18
IP(EA), eV:	-8.97(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations