Geometry & MOs

Info

ID:	241464
PubChem CID:	96023447
Reduced:	FNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	289.111422
ΔH_f, kcal/mol:	-137.55
Dipole, Da:	7.47
IP(EA), eV:	-9.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)C3(CC3)C(=O)O

DOS

IR

Vibrations