Geometry & MOs

Info

ID:	378104
PubChem CID:	134224175
Reduced:	NCl3O3H14C23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	312.052877
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	4.11
IP(EA), eV:	-9.5(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[1-(2-methylphenyl)ethenoxy]-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C3=C(C=CC(=C3)Cl)C(=C2C(=O)O)C(=O)C4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations