Geometry & MOs

Info

ID:	61604
PubChem CID:	26710904
Reduced:	NOH11C12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	1.96
Dipole, Da:	6.49
IP(EA), eV:	-8.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations