Geometry & MOs

Info

ID:	271453
PubChem CID:	103680134
Reduced:	SO2N3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	310.262028
ΔH_f, kcal/mol:	-108.92
Dipole, Da:	3.74
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NCC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations