Geometry & MOs

Info

ID:	241318
PubChem CID:	96022700
Reduced:	FNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	291.107085
ΔH_f, kcal/mol:	-70.08
Dipole, Da:	3.51
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-[(4-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)/C=C/C3=CC=C(C=C3)O

DOS

IR

Vibrations