Geometry & MOs

Info

ID:	267786
PubChem CID:	103589229
Reduced:	BrO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	328.02113
ΔH_f, kcal/mol:	9.45
Dipole, Da:	6.59
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(3-methylquinolin-2-yl)oxyaniline

Drug info:

PubChemData

Smile

C1CC1N2C=CN=C(C2=O)OC3=CC(=CC(=C3)N)Br

DOS

IR

Vibrations