Geometry & MOs

Info

ID:	310687
PubChem CID:	126584303
Reduced:	FSN3O3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	664.37288
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	3.83
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-bromo-N-[6-[1-(10-bromodecyl)piperidin-4-yl]-3-ethylhexyl]-N-methyldecan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C2=CNC3=C2C=CC(=C3)F)S(=O)(=O)NCCC(=O)N

DOS

IR

Vibrations