Geometry & MOs

Info

ID:	208985
PubChem CID:	80609166
Reduced:	OSN5C9H11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	261.070261
ΔH_f, kcal/mol:	44.07
Dipole, Da:	7.7
IP(EA), eV:	-8.57(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)CN2C(=O)C=CC=N2

DOS

IR

Vibrations