Geometry & MOs

Info

ID:	217235
PubChem CID:	85087479
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-208.45
Dipole, Da:	5.67
IP(EA), eV:	-9.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-N-octyl-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CC2C(C1COC(=O)C3=CC=CC=C3)CC(=O)O2

DOS

IR

Vibrations