Geometry & MOs

Info

ID:	255723
PubChem CID:	103134284
Reduced:	OSN3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	285.187484
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	4.15
IP(EA), eV:	-8.57(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCN(CC2)C(C)C(=S)N

DOS

IR

Vibrations