Geometry & MOs

Info

ID:	166416
PubChem CID:	74685968
Reduced:	NOCl2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	368.291317
ΔH_f, kcal/mol:	46.96
Dipole, Da:	9.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.129274
Charge, e:	1

Chem-info

IUPAC name:

4-ethyl-N-[3-methyl-1-(2-morpholin-4-ium-4-ylethylamino)-1-oxobutan-2-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1CC(=CC2=CC(=CC=C2)Cl)C(=O)C(=CC3=CC(=CC=C3)Cl)C1

DOS

IR

Vibrations