Geometry & MOs

Info

ID:	208986
PubChem CID:	80609330
Reduced:	ClOSN3C10H16 (1)
Stoich.:	ABCD3E10F16 (1)
Weight, g/mol:	300.117546
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	7.49
IP(EA), eV:	-9.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)CC2=NN=C(S2)Cl

DOS

IR

Vibrations