Geometry & MOs

Info

ID:

179280

PubChem CID:

76461042

Reduced:

N5O5H19C21 (1)

Stoich.:

A5B5C19D21 (1)

Weight, g/mol:

544.279804

ΔHf, kcal/mol:

-62.87

Dipole, Da:

2.39

IP(EA), eV:

 -9.07(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-5-(6-phenylpyridin-3-yl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),8-dien-10-one

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C2=NC=C(C=C2)C3=CC=C(C=C3)N4CC(OC4=O)COC5=NOC=C5

DOS

IR

Vibrations