Geometry & MOs

Info

ID:	263870
PubChem CID:	103403651
Reduced:	O4C11H22 (1)
Stoich.:	A4B11C22 (1)
Weight, g/mol:	269.038961
ΔH_f, kcal/mol:	-185.44
Dipole, Da:	3.35
IP(EA), eV:	-9.9(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylthiophene-2-carbonyl)piperazine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)C(C)OCCCOCCOC

DOS

IR

Vibrations