Geometry & MOs

Info

ID:	199896
PubChem CID:	79315197
Reduced:	SN2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	12.55
Dipole, Da:	2.79
IP(EA), eV:	-8.32(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,3-dimethylpiperazine-2,6-dione

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)CC2CC3=CC=CC=C3S2

DOS

IR

Vibrations