Geometry & MOs

Info

ID:	57509
PubChem CID:	22400346
Reduced:	BrNO2F3Cl4H7C15 (1)
Stoich.:	ABC2D3E4F7G15 (1)
Weight, g/mol:	514.89332
ΔH_f, kcal/mol:	-182.46
Dipole, Da:	0.6
IP(EA), eV:	-9.88(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[4-[(Z)-2,3-dibromoprop-2-enoxy]-3,5-dimethylphenoxy]-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)OC2=C(C=C(C=N2)C(F)(F)F)Br)Cl)O/C=C/C(Cl)Cl

DOS

IR

Vibrations