Geometry & MOs

Info

ID:	57741
PubChem CID:	24276919
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	4.81
IP(EA), eV:	-8.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-2-piperazin-1-ylethanethioamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(C(=S)N)N2CCCCC2

DOS

IR

Vibrations