Geometry & MOs

Info

ID:

166549

PubChem CID:

74707705

Reduced:

OSN4H13C14 (1)

Stoich.:

ABC4D13E14 (1)

Weight, g/mol:

316.191269

ΔHf, kcal/mol:

109.63

Dipole, Da:

8.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.831444

Charge, e:

 -1

Chem-info

IUPAC name:

9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N=C(C)C2=CC3=CC=CC=C3O2)[S-]

DOS

IR

Vibrations