Geometry & MOs

Info

ID:	216880
PubChem CID:	85086921
Reduced:	N2O2F6H6C11 (1)
Stoich.:	A2B2C6D6E11 (1)
Weight, g/mol:	312.099774
ΔH_f, kcal/mol:	-293.91
Dipole, Da:	3.06
IP(EA), eV:	-11.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(5,5-dimethyl-4-oxofuran-2-yl)prop-2-enoxy]chromen-2-one

Drug info:

PubChemData

Smile

COC(=O)C=CC1C(C1(C(F)(F)F)C(F)(F)F)(C#N)C#N

DOS

IR

Vibrations