Geometry & MOs

Info

ID:	408752
PubChem CID:	135081520
Reduced:	TlO4H5F6C7 (1)
Stoich.:	AB4C5D6E7 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-416.51
Dipole, Da:	7.32
IP(EA), eV:	-11.12(-4.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol

Drug info:

PubChemData

Smile

C=CC[Tl](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations