Geometry & MOs

Info

ID:	52923
PubChem CID:	14709213
Reduced:	BFO2H13C14 (2)
Stoich.:	ABC2D13E14 (2)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	31.32
Dipole, Da:	11.43
IP(EA), eV:	-8.31(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-1-hydroxy-3,7-dimethylocta-2,6-dien-4-yl] acetate

Drug info:

PubChemData

Smile

B1(O[C@H]2[C@@H](O1)C(C3=CC4=C(C=C23)C([C@H]5[C@@H]4OB(O5)C6=CC=C(C=C6)F)(C)C)(C)C)C7=CC=C(C=C7)F

DOS

IR

Vibrations