Geometry & MOs

Info

ID:	139466
PubChem CID:	52536140
Reduced:	FSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	-36.1
Dipole, Da:	5.75
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=NO1)C2=CC=C(C=C2)F)NC(=O)C3=CC4=C(S3)CCCCC4

DOS

IR

Vibrations