Geometry & MOs

Info

ID:	240896
PubChem CID:	93618084
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	296.167083
ΔH_f, kcal/mol:	-26.34
Dipole, Da:	4.65
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-4-ethylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCNC(=O)C2=NC=C(N=C2)C)C

DOS

IR

Vibrations