Geometry & MOs

Info

ID:	53575
PubChem CID:	14716722
Reduced:	BrOC21H29 (1)
Stoich.:	ABC21D29 (1)
Weight, g/mol:	558.298139
ΔH_f, kcal/mol:	-59.3
Dipole, Da:	4.12
IP(EA), eV:	-9.31(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-hexoxybenzoyl)oxyphenyl] 4-(2-methyloctanoyl)benzoate

Drug info:

PubChemData

Smile

CCCC1CCC(=CC1)C2(CCC(CC2)C3=CC=C(C=C3)Br)O

DOS

IR

Vibrations