Geometry & MOs

Info

ID:

178853

PubChem CID:

76389674

Reduced:

N7O14C44H55 (1)

Stoich.:

A7B14C44D55 (1)

Weight, g/mol:

340.189926

ΔHf, kcal/mol:

-604.46

Dipole, Da:

10.09

IP(EA), eV:

 -9.14(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[imidazol-1-yl(nitroso)methylidene]-2-(5-methyl-2-propan-2-ylphenoxy)piperidine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C2=CC3=CC=CC=C3C=C2)NC(=O)C

DOS

IR

Vibrations