Geometry & MOs

Info

ID:	45880
PubChem CID:	10518579
Reduced:	O2F5H9C14 (1)
Stoich.:	A2B5C9D14 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-280.62
Dipole, Da:	2.46
IP(EA), eV:	-9.29(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-N-(3-piperidin-1-ylpropyl)-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2OCC(C(F)(F)F)(F)F)C=O

DOS

IR

Vibrations