Geometry & MOs

Info

ID:	189869
PubChem CID:	77917689
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	364.227454
ΔH_f, kcal/mol:	-151.94
Dipole, Da:	9.07
IP(EA), eV:	-9.06(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[3-(3-fluorophenyl)pyrazolidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCN(C2C1CS(=O)(=O)C2)CC3=CC(=CC=C3)OCC

DOS

IR

Vibrations