Geometry & MOs

Info

ID:	9345
PubChem CID:	88143
Reduced:	ClFNO5C25H27 (1)
Stoich.:	ABCD5E25F27 (1)
Weight, g/mol:	475.156179
ΔH_f, kcal/mol:	-238.78
Dipole, Da:	6.89
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=C(C=C2)Cl)OC(=O)CCC(=O)O)CCCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations