Geometry & MOs

Info

ID:	271695
PubChem CID:	103689126
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	324.277678
ΔH_f, kcal/mol:	-35.63
Dipole, Da:	3.91
IP(EA), eV:	-9.96(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(3-ethylcyclohexyl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations