Geometry & MOs

Info

ID:	194792
PubChem CID:	78590776
Reduced:	ClNF3O4H13C18 (1)
Stoich.:	ABC3D4E13F18 (1)
Weight, g/mol:	348.301488
ΔH_f, kcal/mol:	-265.24
Dipole, Da:	5.46
IP(EA), eV:	-9.09(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

(1-benzylpiperidin-1-ium-4-yl)-[[4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl)OC(F)F

DOS

IR

Vibrations