Geometry & MOs

Info

ID:	27653
PubChem CID:	822833
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	292.065949
ΔH_f, kcal/mol:	79.05
Dipole, Da:	7.9
IP(EA), eV:	-8.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(cyanomethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C=NNC(=CN=O)C2=CC=CC=C2

DOS

IR

Vibrations