Geometry & MOs

Info

ID:	128589
PubChem CID:	51051500
Reduced:	ClF3O3H10C15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	287.034921
ΔH_f, kcal/mol:	-215.86
Dipole, Da:	2.83
IP(EA), eV:	-9.3(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-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)Cl

DOS

IR

Vibrations