Geometry & MOs

Info

ID:	164797
PubChem CID:	74454695
Reduced:	FSN3O3C24H27 (1)
Stoich.:	ABC3D3E24F27 (1)
Weight, g/mol:	374.152296
ΔH_f, kcal/mol:	-82.97
Dipole, Da:	8.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.961177
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC(=CC=C3)F)[NH+](C)C

DOS

IR

Vibrations