Geometry & MOs

Info

ID:	277991
PubChem CID:	103832496
Reduced:	OF2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	279.11201
ΔH_f, kcal/mol:	-55.76
Dipole, Da:	5.78
IP(EA), eV:	-9.82(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrimidin-2-yl-5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC(=NO1)C2=CC(=C(C=C2)F)F)N

DOS

IR

Vibrations