Geometry & MOs

Info

ID:	206405
PubChem CID:	80246921
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	280.19732
ΔH_f, kcal/mol:	-76.9
Dipole, Da:	2.82
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-diethyl-1-[(3-ethylthiophen-2-yl)methyl]-2-methylpiperazine

Drug info:

PubChemData

Smile

CC1=CSC=C1CN2CCC(=O)NC(C2=O)(C)C

DOS

IR

Vibrations