Geometry & MOs

Info

ID:	342078
PubChem CID:	127264791
Reduced:	OSN3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	326.123069
ΔH_f, kcal/mol:	75.29
Dipole, Da:	5.52
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC=CS2)C(=O)N3CC4(CC4)C5=CC=CC=C53

DOS

IR

Vibrations