Geometry & MOs

Info

ID:	310642
PubChem CID:	126584082
Reduced:	NC7H15 (1)
Stoich.:	AB7C15 (1)
Weight, g/mol:	426.188961
ΔH_f, kcal/mol:	-12.31
Dipole, Da:	1.45
IP(EA), eV:	-8.09(1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)propyl]-4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfanylpiperazin-2-one

Drug info:

PubChemData

Smile

CC/C=C(\CC)/NC

DOS

IR

Vibrations