Geometry & MOs

Info

ID:	159569
PubChem CID:	57288469
Reduced:	O3C27H34 (1)
Stoich.:	A3B27C34 (1)
Weight, g/mol:	430.032589
ΔH_f, kcal/mol:	-126.85
Dipole, Da:	2.98
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-1-[2-chloro-1-[3-(trifluoromethyl)phenyl]ethoxy]ethyl]-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2=CC3=C(C=C2C)C(CCC3(C)C)(C)C)C(=C)C(=O)O

DOS

IR

Vibrations