Geometry & MOs

Info

ID:	402091
PubChem CID:	135054314
Reduced:	O3H22C25 (1)
Stoich.:	A3B22C25 (1)
Weight, g/mol:	418.194423
ΔH_f, kcal/mol:	-47.64
Dipole, Da:	4.17
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-oxo-3-(4-phenylphenyl)octyl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CCC(C1C2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations