Geometry & MOs

Info

ID:	79714
PubChem CID:	49830094
Reduced:	NO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	405.279156
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	4.48
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]-N-(oxolan-2-ylmethyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2C3C(=NC(=C2C(=O)OCC4=CC=CC=C4)C)CC(CC3=O)(C)C

DOS

IR

Vibrations