Geometry & MOs

Info

ID:	312942
PubChem CID:	126610265
Reduced:	ClOC27H27 (1)
Stoich.:	ABC27D27 (1)
Weight, g/mol:	468.105913
ΔH_f, kcal/mol:	30.78
Dipole, Da:	3.15
IP(EA), eV:	-8.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-but-3-enylphenyl)-3-chloro-2-fluorophenyl] 4-but-3-enyl-3-chlorobenzoate

Drug info:

PubChemData

Smile

C=CCCC1=CC=C(C=C1)COC2=CC(=C(C=C2)C3=CC=C(C=C3)CCC=C)Cl

DOS

IR

Vibrations