Geometry & MOs

Info

ID:	164795
PubChem CID:	74454633
Reduced:	ClN2F3O3C22H23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	416.174094
ΔH_f, kcal/mol:	-225.68
Dipole, Da:	10.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099327
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations