Geometry & MOs

Info

ID:	53482
PubChem CID:	14716308
Reduced:	ClO4C32H37 (1)
Stoich.:	AB4C32D37 (1)
Weight, g/mol:	500.29266
ΔH_f, kcal/mol:	-145.23
Dipole, Da:	8.49
IP(EA), eV:	-9.02(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)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)Cl

DOS

IR

Vibrations