Geometry & MOs

Info

ID:	241520
PubChem CID:	96023542
Reduced:	FON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	292.158706
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	1.42
IP(EA), eV:	-9.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1R)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-propan-2-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)CC#N

DOS

IR

Vibrations