Geometry & MOs

Info

ID:	362353
PubChem CID:	127307422
Reduced:	OSN6C16H28 (1)
Stoich.:	ABC6D16E28 (1)
Weight, g/mol:	286.182733
ΔH_f, kcal/mol:	-6.08
Dipole, Da:	3.15
IP(EA), eV:	-8.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylthiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)N2CCN(CC2)CC3=CSC=N3)C

DOS

IR

Vibrations