Geometry & MOs

Info

ID:	53586
PubChem CID:	14716799
Reduced:	FO4C33H47 (1)
Stoich.:	AB4C33D47 (1)
Weight, g/mol:	578.279902
ΔH_f, kcal/mol:	-244.52
Dipole, Da:	3.82
IP(EA), eV:	-8.51(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-octoxyphenyl)phenyl] 4-[1-(2-chloro-3-methylpentanoyl)oxyethyl]benzoate

Drug info:

PubChemData

Smile

CCCCCCC(C)OC1=CC=C(C=C1)C2=C(C=C(C=C2)OC(=O)C3CCC(CC3)OCCCCCC)F

DOS

IR

Vibrations