Geometry & MOs

Info

ID:	267784
PubChem CID:	103589157
Reduced:	BrN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	267.00072
ΔH_f, kcal/mol:	2.45
Dipole, Da:	5.47
IP(EA), eV:	-9.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(1-methylimidazol-2-yl)oxyaniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C#N)OC2=CC(=CC(=C2)N)Br

DOS

IR

Vibrations