Geometry & MOs

Info

ID:

194101

PubChem CID:

78483838

Reduced:

ClN3O3H13C17 (1)

Stoich.:

AB3C3D13E17 (1)

Weight, g/mol:

369.192666

ΔHf, kcal/mol:

17.23

Dipole, Da:

17.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.039778

Charge, e:

 1

Chem-info

IUPAC name:

N-[3-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]propyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=NNC3=CC(=C(C=C3)Cl)C(=O)[O-])C1=O

DOS

IR

Vibrations