Geometry & MOs

Info

ID:

188274

PubChem CID:

77692309

Reduced:

N3O4C37H41 (1)

Stoich.:

A3B4C37D41 (1)

Weight, g/mol:

587.229932

ΔHf, kcal/mol:

-106.42

Dipole, Da:

5.64

IP(EA), eV:

 -8.69(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

piperidin-4-yl N-[1-(5-benzamido-1,3-dihydroisoindol-2-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C3CC4CC3C=C4)COC56CC7CC(C5)CC(C7)C6)C(=O)OCC8=CC=CC=C8

DOS

IR

Vibrations