Geometry & MOs

Info

ID:	318638
PubChem CID:	126652513
Reduced:	ClN2O4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-197.4
Dipole, Da:	2.7
IP(EA), eV:	-9.31(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-hexyl-4-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Cl)CNCC(=O)OC

DOS

IR

Vibrations