Geometry & MOs

Info

ID:	241482
PubChem CID:	96023467
Reduced:	FON3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	252.127406
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	2.68
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations