Geometry & MOs

Info

ID:	61586
PubChem CID:	26710775
Reduced:	BrSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-72.31
Dipole, Da:	7.37
IP(EA), eV:	-8.61(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations