Geometry & MOs

Info

ID:	206403
PubChem CID:	80246919
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	1.86
IP(EA), eV:	-9.01(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-1-[(4-methylthiophen-3-yl)methyl]-3-propylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)N1CC2=CSC=C2C)CC(C)C

DOS

IR

Vibrations