Geometry & MOs

Info

ID:	299750
PubChem CID:	117689154
Reduced:	N5O7C21H43 (1)
Stoich.:	A5B7C21D43 (1)
Weight, g/mol:	417.144847
ΔH_f, kcal/mol:	-358.71
Dipole, Da:	6.44
IP(EA), eV:	-9.51(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[4-(3-methyl-3-oxido-2H-1,3,4-oxadiazol-3-ium-5-yl)piperidin-1-yl]phenyl]-1-(5-nitrofuran-2-yl)methanimine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC[C@@H](C(=O)O)N)N.CC(C)C[C@@H](C(=O)OC(=O)[C@H](CCCCN)N)N

DOS

IR

Vibrations