Geometry & MOs

Info

ID:	271611
PubChem CID:	103685839
Reduced:	N2S2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	312.187149
ΔH_f, kcal/mol:	64.69
Dipole, Da:	2.59
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-prop-2-ynylsulfanylethylamino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNCCSCC#C

DOS

IR

Vibrations