Geometry & MOs

Info

ID:	255722
PubChem CID:	103134283
Reduced:	SN2O2C12H24 (1)
Stoich.:	AB2C2D12E24 (1)
Weight, g/mol:	271.171834
ΔH_f, kcal/mol:	-94.03
Dipole, Da:	5.41
IP(EA), eV:	-8.66(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanethioamide

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(CCC(=S)N)CCOC

DOS

IR

Vibrations