Geometry & MOs

Info

ID:	355805
PubChem CID:	127290657
Reduced:	SO2N4C16H28 (1)
Stoich.:	AB2C4D16E28 (1)
Weight, g/mol:	346.121195
ΔH_f, kcal/mol:	-75.95
Dipole, Da:	0.91
IP(EA), eV:	-8.83(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]sulfonylpyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)S(=O)(=O)CC3CCCCC3

DOS

IR

Vibrations