Geometry & MOs

Info

ID:	165685
PubChem CID:	74583430
Reduced:	FN4O4C26H33 (1)
Stoich.:	AB4C4D26E33 (1)
Weight, g/mol:	423.279824
ΔH_f, kcal/mol:	-167.58
Dipole, Da:	6.54
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine

Drug info:

PubChemData

Smile

COC(=O)C1=C2CCN(CCN2C(=O)C=C1OC3CCCC3)CC4CNNC4C5=CC=C(C=C5)F

DOS

IR

Vibrations