Geometry & MOs

Info

ID:	283579
PubChem CID:	103990318
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	268.099397
ΔH_f, kcal/mol:	-42.37
Dipole, Da:	7.8
IP(EA), eV:	-9.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCN(CC1)S(=O)(=O)CCC2=CC=CC=N2)C#N

DOS

IR

Vibrations