Geometry & MOs

Info

ID:	64367
PubChem CID:	29199350
Reduced:	OF3N3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	457.227337
ΔH_f, kcal/mol:	-155.56
Dipole, Da:	6.45
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-ethoxy-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations