Geometry & MOs

Info

ID:

395068

PubChem CID:

135024561

Reduced:

ON2H17C19 (1)

Stoich.:

AB2C17D19 (1)

Weight, g/mol:

295.178358

ΔHf, kcal/mol:

84.12

Dipole, Da:

3.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.893293

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S)-3-methyl-5,7-dioxo-11-azaspiro[5.8]tetradecan-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C2C(C3=C(C=[C+]C=C3N2)CC=C)C(=O)C4=CC=CC=C41

DOS

IR

Vibrations