Geometry & MOs

Info

ID:	260068
PubChem CID:	103179660
Reduced:	O5C15H24 (1)
Stoich.:	A5B15C24 (1)
Weight, g/mol:	275.166748
ΔH_f, kcal/mol:	-199.43
Dipole, Da:	2.71
IP(EA), eV:	-9.06(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]ethanethioamide

Drug info:

PubChemData

Smile

COCCCOCCOCC(C1=CC=CC=C1OC)O

DOS

IR

Vibrations