Geometry & MOs

Info

ID:	200668
PubChem CID:	79425199
Reduced:	F3O3C7H9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-282.23
Dipole, Da:	2.41
IP(EA), eV:	-11.23(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

C1CC1(CC(C(F)(F)F)O)C(=O)O

DOS

IR

Vibrations