Geometry & MOs

Info

ID:	277497
PubChem CID:	103829014
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-39.17
Dipole, Da:	2.65
IP(EA), eV:	-9.46(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CC1CN(CCC1N)S(=O)(=O)C2=C(C=C(C=C2)C#N)C

DOS

IR

Vibrations