Geometry & MOs

Info

ID:	191914
PubChem CID:	78200232
Reduced:	N4O6C19H26 (1)
Stoich.:	A4B6C19D26 (1)
Weight, g/mol:	317.026642
ΔH_f, kcal/mol:	-162.82
Dipole, Da:	3.15
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[chloro(difluoro)methoxy]-4-oxo-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCOC2=C(C=C(C=C2)N3C=NC4C3NCNC4=O)OCCOCCO1

DOS

IR

Vibrations