Geometry & MOs

Info

ID:	178940
PubChem CID:	76403848
Reduced:	SO2N6C12H20 (1)
Stoich.:	AB2C6D12E20 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	5.15
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-1-[4-(methylamino)pyrimidin-2-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC(=O)N2CC(CC2C(=O)NC)N

DOS

IR

Vibrations