Geometry & MOs

Info

ID:	241484
PubChem CID:	96023470
Reduced:	FN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	252.127406
ΔH_f, kcal/mol:	-116.49
Dipole, Da:	2.71
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-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)[C@H]3C[C@H](CN3)O

DOS

IR

Vibrations