Geometry & MOs

Info

ID:	241417
PubChem CID:	96023381
Reduced:	FN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	273.12774
ΔH_f, kcal/mol:	-158.03
Dipole, Da:	5.77
IP(EA), eV:	-9.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4,6-dimethylpyrimidin-5-yl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations