Geometry & MOs

Info

ID:	397392
PubChem CID:	135030150
Reduced:	BrNSO3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	329.00514
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	5.52
IP(EA), eV:	-9.66(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(4-methoxyphenoxy)quinoline

Drug info:

PubChemData

Smile

CS(=NC(=O)C(=O)C1=CC=CC=C1)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations