Geometry & MOs

Info

ID:	208859
PubChem CID:	80595658
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	2.79
IP(EA), eV:	-8.68(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCSC(C1)C(=O)N2CCC(CC2)CN

DOS

IR

Vibrations