Geometry & MOs

Info

ID:

132525

PubChem CID:

51374635

Reduced:

OSN2H11C13 (1)

Stoich.:

ABC2D11E13 (1)

Weight, g/mol:

285.160303

ΔHf, kcal/mol:

42.96

Dipole, Da:

6.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753530

Charge, e:

 1

Chem-info

IUPAC name:

cyclohexyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylidene]azanium

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(C(=NC2=S)[O-])C3=CC=CC=C3

DOS

IR

Vibrations