Geometry & MOs

Info

ID:	128592
PubChem CID:	51051503
Reduced:	BrF3O3H10C15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	330.98441
ΔH_f, kcal/mol:	-203.33
Dipole, Da:	2.51
IP(EA), eV:	-9.32(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(4-formyl-2-methoxyphenoxy)benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC2=C(C=C(C=C2)C(F)(F)F)Br

DOS

IR

Vibrations