Geometry & MOs

Info

ID:	371989
PubChem CID:	131284443
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	247.054611
ΔH_f, kcal/mol:	-36.29
Dipole, Da:	2.23
IP(EA), eV:	-9.32(-0.06)
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-yl]methanol

Drug info:

PubChemData

Smile

C1CNCCC1(C#N)OC2=CC=CC(=C2)O

DOS

IR

Vibrations