Geometry & MOs

Info

ID:	152169
PubChem CID:	56311038
Reduced:	OF2N2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	405.177393
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	1.61
IP(EA), eV:	-8.72(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-fluorophenyl)sulfonylpropyl]-4-[(4-methoxyphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCCN(CC2)CC3=CC=CC=C3F)F

DOS

IR

Vibrations