Geometry & MOs

Info

ID:	140542
PubChem CID:	52717263
Reduced:	FN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	470.191366
ΔH_f, kcal/mol:	-177.07
Dipole, Da:	3.79
IP(EA), eV:	-8.3(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)NC(=O)CCCOC2=CC=CC=C2F)OC

DOS

IR

Vibrations