Geometry & MOs

Info

ID:	53594
PubChem CID:	14716856
Reduced:	FO3C33H41 (1)
Stoich.:	AB3C33D41 (1)
Weight, g/mol:	468.32396
ΔH_f, kcal/mol:	-149.49
Dipole, Da:	5.05
IP(EA), eV:	-8.27(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hexylphenyl) 4-(2-octoxypropoxy)benzoate

Drug info:

PubChemData

Smile

CCCCCCC(COC1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)OC4CCCCC4)F

DOS

IR

Vibrations