Geometry & MOs

Info

ID:	143338
PubChem CID:	53193916
Reduced:	ON5C26H35 (1)
Stoich.:	AB5C26D35 (1)
Weight, g/mol:	439.121118
ΔH_f, kcal/mol:	-17.37
Dipole, Da:	1.6
IP(EA), eV:	-7.95(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=C3CC(CCC3=N2)C(=O)NCCCN4CCCC5=CC=CC=C54

DOS

IR

Vibrations