Geometry & MOs

Info

ID:

193916

PubChem CID:

78456077

Reduced:

NO4H23C26 (1)

Stoich.:

AB4C23D26 (1)

Weight, g/mol:

429.230394

ΔHf, kcal/mol:

-53.18

Dipole, Da:

9.34

IP(EA), eV:

 -8.65(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-methylphenyl)methyl 3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-cyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)OC(=O)C2=C3CCC(=C3N=C4C2C=CC=C4)C=C5C=CC(=O)C=C5

DOS

IR

Vibrations