Geometry & MOs

Info

ID:	45386
PubChem CID:	10512534
Reduced:	F3H3O4C7 (1)
Stoich.:	A3B3C4D7 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-274.02
Dipole, Da:	3.81
IP(EA), eV:	-10.25(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4R)-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-isochromen-4-ol

Drug info:

PubChemData

Smile

C1(=C(C(=C(C(=C1F)F)O)F)O)C(=O)O

DOS

IR

Vibrations