Geometry & MOs

Info

ID:	140825
PubChem CID:	52767851
Reduced:	ON3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	384.154587
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	3.74
IP(EA), eV:	-8.87(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-3-methyl-N-[(2-piperidin-1-ylpyridin-1-ium-3-yl)methyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CCCC(=O)NCC2=C(N=CC=C2)N3CCCCC3

DOS

IR

Vibrations