Geometry & MOs

Info

ID:	241425
PubChem CID:	96023392
Reduced:	ClFON3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	279.057468
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	2.5
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(5-chloropyrazin-2-yl)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)C3=CN=C(C=N3)Cl

DOS

IR

Vibrations