Geometry & MOs

Info

ID:	241305
PubChem CID:	96022606
Reduced:	ClFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	275.095771
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	4.66
IP(EA), eV:	-9.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations