Geometry & MOs

Info

ID:	164746
PubChem CID:	74446363
Reduced:	SN5O5H23C24 (1)
Stoich.:	AB5C5D23E24 (1)
Weight, g/mol:	406.18299
ΔH_f, kcal/mol:	-104.81
Dipole, Da:	5.83
IP(EA), eV:	-8.75(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,5-difluorophenyl)-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3C=CC4=NC(=O)NC4=C3)C

DOS

IR

Vibrations