Geometry & MOs

Info

ID:	48270
PubChem CID:	10538499
Reduced:	O2H12C17 (1)
Stoich.:	A2B12C17 (1)
Weight, g/mol:	248.061949
ΔH_f, kcal/mol:	1.0
Dipole, Da:	5.92
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dimethyl-4-methylsulfanyl-6-nitroquinoline

Drug info:

PubChemData

Smile

C1C2=C(C3=CC=CC=C3C2C4=CC=CC=C4)C(=O)O1

DOS

IR

Vibrations