Geometry & MOs

Info

ID:	263260
PubChem CID:	103350233
Reduced:	BrNOF2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	361.98215
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	3.84
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(5-chloroquinolin-8-yl)oxymethyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)OCC2=CC(=CC(=C2)Br)N

DOS

IR

Vibrations