Geometry & MOs

Info

ID:	291902
PubChem CID:	113635243
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	1.86
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC=C1)CN2CCN[C@H](C2)C

DOS

IR

Vibrations