Geometry & MOs

Info

ID:	277489
PubChem CID:	103828932
Reduced:	SN2O2C12H26 (1)
Stoich.:	AB2C2D12E26 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-122.47
Dipole, Da:	5.44
IP(EA), eV:	-8.78(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)NCC1CCCCN1

DOS

IR

Vibrations