Geometry & MOs

Info

ID:	241418
PubChem CID:	96023382
Reduced:	FON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	273.12774
ΔH_f, kcal/mol:	-37.72
Dipole, Da:	6.18
IP(EA), eV:	-9.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)C)[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations