Geometry & MOs

Info

ID:	17997
PubChem CID:	532480
Reduced:	F3O3H11C15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	296.066029
ΔH_f, kcal/mol:	-227.63
Dipole, Da:	3.58
IP(EA), eV:	-8.89(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl) 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations