Geometry & MOs

Info

ID:	175118
PubChem CID:	75858570
Reduced:	SN4O4C15H18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	306.145381
ΔH_f, kcal/mol:	-0.37
Dipole, Da:	4.91
IP(EA), eV:	-9.09(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)SCC(COC3=CC=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations