Geometry & MOs

Info

ID:	192244
PubChem CID:	78248783
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	460.221187
ΔH_f, kcal/mol:	-80.09
Dipole, Da:	2.73
IP(EA), eV:	-8.63(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC2C(C1)NC(NC2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations