Geometry & MOs

Info

ID:	245443
PubChem CID:	99444870
Reduced:	BrNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	462.180013
ΔH_f, kcal/mol:	-111.75
Dipole, Da:	3.38
IP(EA), eV:	-9.2(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COCCN(C1CCCC1)C(=O)C2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations