Geometry & MOs

Info

ID:

431997

PubChem CID:

135172125

Reduced:

N3O9C45H47 (1)

Stoich.:

A3B9C45D47 (1)

Weight, g/mol:

447.309707

ΔHf, kcal/mol:

-258.09

Dipole, Da:

5.89

IP(EA), eV:

 -8.52(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[2-amino-4-(4-methoxy-4-oxobutan-2-yl)-N-(2-methylpropyl)anilino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)OC)N(CC(C2=C3C(=CC(=C2)OCC4=CC=CC=C4)NC(=O)CO3)O)CC(C5=C6C(=CC(=C5)OCC7=CC=CC=C7)NC(=O)CO6)O

DOS

IR

Vibrations