Geometry & MOs

Info

ID:

26122

PubChem CID:

639034

Reduced:

N4C6H11 (1)

Stoich.:

A4B6C11 (1)

Weight, g/mol:

297.056799

ΔHf, kcal/mol:

88.27

Dipole, Da:

4.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.776447

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CN1C(=[N+](N=N1)C)CC=C

DOS

IR

Vibrations