Geometry & MOs

Info

ID:	397108
PubChem CID:	135029744
Reduced:	ClO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	294.086764
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	3.83
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(=O)C(C)(C)C)C2=CC=CC=C2)Cl

DOS

IR

Vibrations