Geometry & MOs

Info

ID:

85922

PubChem CID:

49880251

Reduced:

ClFSO2N3H14C16 (1)

Stoich.:

ABCD2E3F14G16 (1)

Weight, g/mol:

362.16353

ΔHf, kcal/mol:

-36.87

Dipole, Da:

2.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750083

Charge, e:

 -1

Chem-info

IUPAC name:

ethyl 8-ethyl-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)F)C.[Cl-]

DOS

IR

Vibrations