Geometry & MOs

Info

ID:	53483
PubChem CID:	14716309
Reduced:	O4C33H40 (1)
Stoich.:	A4B33C40 (1)
Weight, g/mol:	558.334525
ΔH_f, kcal/mol:	-146.88
Dipole, Da:	7.38
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-4-(4-methylhexanoyl)phenyl] 4-(4-decoxyphenyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)C(C)CC)C

DOS

IR

Vibrations