Geometry & MOs

Info

ID:

79456

PubChem CID:

49754935

Reduced:

N4O5C26H28 (1)

Stoich.:

A4B5C26D28 (1)

Weight, g/mol:

490.22162

ΔHf, kcal/mol:

-171.44

Dipole, Da:

2.71

IP(EA), eV:

 -8.45(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phenyl 4-[[[2-[(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)amino]-2-oxoacetyl]amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C3C(=CC(=C2)NC(=O)C(=O)NCC4CCN(CC4)C(=O)OC5=CC=CC=C5)CC(=O)N3C1

DOS

IR

Vibrations