Geometry & MOs

Info

ID:	422786
PubChem CID:	135118408
Reduced:	FSN3O4C16H20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-194.39
Dipole, Da:	4.63
IP(EA), eV:	-9.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

DOS

IR

Vibrations