Geometry & MOs

Info

ID:	260042
PubChem CID:	103179335
Reduced:	N3O4C11H19 (1)
Stoich.:	A3B4C11D19 (1)
Weight, g/mol:	317.06266
ΔH_f, kcal/mol:	-126.65
Dipole, Da:	1.41
IP(EA), eV:	-8.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-methoxy-N-[2-(3-methoxypropoxy)ethyl]aniline

Drug info:

PubChemData

Smile

COCCCOCCOC(=O)CN1C=CC(=N1)N

DOS

IR

Vibrations