Geometry & MOs

Info

ID:	145368
PubChem CID:	53510951
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-86.25
Dipole, Da:	4.73
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-benzothiophen-3-ylmethyl(methyl)amino]acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCCNC(=O)NCCC1=COC(=N1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations