Geometry & MOs

Info

ID:	140413
PubChem CID:	52693816
Reduced:	F2O2N3C27H33 (1)
Stoich.:	A2B2C3D27E33 (1)
Weight, g/mol:	469.254084
ΔH_f, kcal/mol:	-152.69
Dipole, Da:	4.47
IP(EA), eV:	-9.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@@H](C1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations