Geometry & MOs

Info

ID:

446442

PubChem CID:

135275009

Reduced:

FO2N6H27C28 (1)

Stoich.:

AB2C6D27E28 (1)

Weight, g/mol:

504.227374

ΔHf, kcal/mol:

-20.83

Dipole, Da:

6.55

IP(EA), eV:

 -8.37(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-ethynyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(CNC5=O)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations