Geometry & MOs

Info

ID:	271462
PubChem CID:	103680156
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	3.51
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1-hydroxycyclopentyl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNCC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations