Geometry & MOs

Info

ID:	371711
PubChem CID:	131270898
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	233.038961
ΔH_f, kcal/mol:	28.02
Dipole, Da:	4.89
IP(EA), eV:	-9.22(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]piperidin-3-ol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)[C@@H](CC#N)N

DOS

IR

Vibrations