Geometry & MOs

Info

ID:	206872
PubChem CID:	80314853
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	281.192569
ΔH_f, kcal/mol:	3.88
Dipole, Da:	3.49
IP(EA), eV:	-8.68(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CCN(CC1=NC(=C(S1)C)C)C2CCCNC2

DOS

IR

Vibrations