Geometry & MOs

Info

ID:	165107
PubChem CID:	74501078
Reduced:	N3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	353.226726
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	9.54
IP(EA), eV:	-8.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(4-methylphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C=C(N1CC2=CC=C(O2)C)C)C(=O)NCC3CCCN4C3CCCC4

DOS

IR

Vibrations