Geometry & MOs

Info

ID:

399282

PubChem CID:

135039393

Reduced:

O3C7H10 (2)

Stoich.:

A3B7C10 (2)

Weight, g/mol:

236.094963

ΔHf, kcal/mol:

-234.61

Dipole, Da:

2.13

IP(EA), eV:

-9.63(-0.72)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-indolizin-8-one

Drug info:

PubChemData

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DOS

IR

Vibrations