Geometry & MOs

Info

ID:	57754
PubChem CID:	24277040
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	5.7
IP(EA), eV:	-8.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperazin-1-yl-2-(4-propoxyphenyl)ethanethioamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(C(=S)N)N(C)C

DOS

IR

Vibrations