Geometry & MOs

Info

ID:	241327
PubChem CID:	96022760
Reduced:	FNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-195.92
Dipole, Da:	2.76
IP(EA), eV:	-9.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(3-methoxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations