Geometry & MOs

Info

ID:	355607
PubChem CID:	127289365
Reduced:	SO3N5C18H31 (1)
Stoich.:	AB3C5D18E31 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-114.45
Dipole, Da:	5.16
IP(EA), eV:	-8.98(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCCC1C(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations