Geometry & MOs

Info

ID:	240003
PubChem CID:	93375567
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	271.171834
ΔH_f, kcal/mol:	-133.57
Dipole, Da:	4.28
IP(EA), eV:	-8.66(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methylbutyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](CN(C)C(=O)CN1CCNCC1)C(=O)OC

DOS

IR

Vibrations