Geometry & MOs

Info

ID:	188499
PubChem CID:	77724136
Reduced:	O2C15H18 (2)
Stoich.:	A2B15C18 (2)
Weight, g/mol:	458.24571
ΔH_f, kcal/mol:	-145.99
Dipole, Da:	7.31
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[4-(4-ethylbenzoyl)oxy-2-hexan-2-ylphenyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC(C)C1(CC(=C(C=C1)C(=O)O)CC)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC

DOS

IR

Vibrations