Geometry & MOs

Info

ID:	124825
PubChem CID:	50897560
Reduced:	FeO2F5H5C11 (1)
Stoich.:	AB2C5D5E11 (1)
Weight, g/mol:	366.146724
ΔH_f, kcal/mol:	-162.21
Dipole, Da:	2.18
IP(EA), eV:	-8.5(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[7-hydroxy-5-(methoxymethoxy)-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.[C-]1(C(=C(C1(F)F)F)F)F.[Fe+6]

DOS

IR

Vibrations