Geometry & MOs

Info

ID:	203058
PubChem CID:	79771453
Reduced:	S2N4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	345.00259
ΔH_f, kcal/mol:	75.45
Dipole, Da:	2.01
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-fluoro-8-iodo-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CN(CC1=CN=C(S1)N)CC2=CSC=N2

DOS

IR

Vibrations