Geometry & MOs

Info

ID:	22847
PubChem CID:	599096
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-55.97
Dipole, Da:	4.42
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-2-methyl-3-octylquinolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(N(C2=CC=CC=C2C1=O)O)C

DOS

IR

Vibrations