Geometry & MOs

Info

ID:

133933

PubChem CID:

51615996

Reduced:

N2O5H17C20 (1)

Stoich.:

A2B5C17D20 (1)

Weight, g/mol:

266.038409

ΔHf, kcal/mol:

-118.11

Dipole, Da:

3.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765061

Charge, e:

 -1

Chem-info

IUPAC name:

(3aR,4R,9bR)-8-chloro-6-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=C(C(=O)NC2=O)C(=O)C3=CC=C(C=C3)C)[O-]

DOS

IR

Vibrations