Geometry & MOs

Info

ID:	164866
PubChem CID:	74462560
Reduced:	NF2O6H12C19 (1)
Stoich.:	AB2C6D12E19 (1)
Weight, g/mol:	406.150914
ΔH_f, kcal/mol:	-193.33
Dipole, Da:	5.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.787082
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-2-(3-methylpiperidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)F)C2=NC(=CC3=CC=C(C=C3)OCC(=O)[O-])C(=O)O2

DOS

IR

Vibrations