Geometry & MOs

Info

ID:	216917
PubChem CID:	85086982
Reduced:	ClFO2N3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	6.26
IP(EA), eV:	-9.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hexylcarbamoyl)-4-oxo-3H-quinoline-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)OC(=O)N3C2NC(N3)C4=CC=CC=C4F

DOS

IR

Vibrations