Geometry & MOs

Info

ID:	277975
PubChem CID:	103832347
Reduced:	FON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-9.08
Dipole, Da:	4.52
IP(EA), eV:	-9.45(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C2=NC(=NO2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations