Geometry & MOs

Info

ID:	241423
PubChem CID:	96023389
Reduced:	FON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	279.057468
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	5.35
IP(EA), eV:	-8.74(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(5-chloropyrazin-2-yl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C[C@H](N2)[C@@H]3C4=CC(=C(C=C4CCN3)F)O

DOS

IR

Vibrations