Geometry & MOs

Info

ID:	342925
PubChem CID:	127266088
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	339.080826
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	6.95
IP(EA), eV:	-9.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(2-chlorothiophen-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC(C1CC1(C)C)NC2=NC=CC(=C2[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations