Geometry & MOs

Info

ID:	139055
PubChem CID:	52465910
Reduced:	BrSN3O3H13C18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	23.75
Dipole, Da:	2.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.132862
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropanoyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC=C(C=C3)Br

DOS

IR

Vibrations