Geometry & MOs

Info

ID:	125215
PubChem CID:	50915293
Reduced:	BrNSO3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-72.41
Dipole, Da:	2.1
IP(EA), eV:	-9.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-octyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1COCCC1COC2=C(C(=O)NC3=C2C=C(C=C3)Br)C4=CC=CS4

DOS

IR

Vibrations