Geometry & MOs

Info

ID:	421187
PubChem CID:	135115526
Reduced:	ClN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-128.67
Dipole, Da:	2.94
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations