Geometry & MOs

Info

ID:	45800
PubChem CID:	10517720
Reduced:	OF5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	292.109944
ΔH_f, kcal/mol:	-264.11
Dipole, Da:	3.17
IP(EA), eV:	-9.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-(4-methylbenzoyl)isochromen-1-one

Drug info:

PubChemData

Smile

C/C(=C\C=C\C1=CC=CC=C1)/C(C(C(F)(F)F)(F)F)O

DOS

IR

Vibrations