Geometry & MOs

Info

ID:	53592
PubChem CID:	14716841
Reduced:	O5C40H52 (1)
Stoich.:	A5B40C52 (1)
Weight, g/mol:	470.319623
ΔH_f, kcal/mol:	-198.0
Dipole, Da:	4.34
IP(EA), eV:	-8.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluoro-2-methylbutyl)phenyl] 4-dodecoxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OC4=CC=C(C=C4)OC(C)CCCCCC

DOS

IR

Vibrations