Geometry & MOs

Info

ID:	64390
PubChem CID:	29199452
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	471.242987
ΔH_f, kcal/mol:	-9.68
Dipole, Da:	12.91
IP(EA), eV:	-8.88(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-(2-methylpropoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations