Geometry & MOs

Info

ID:	140110
PubChem CID:	52649317
Reduced:	F3N3O3C24H28 (1)
Stoich.:	A3B3C3D24E28 (1)
Weight, g/mol:	428.194972
ΔH_f, kcal/mol:	-221.77
Dipole, Da:	5.25
IP(EA), eV:	-8.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)phenyl]-2-naphthalen-2-ylacetamide

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)N3CCN(CC3)C)C(F)(F)F)OC

DOS

IR

Vibrations