Geometry & MOs

Info

ID:	241547
PubChem CID:	96023610
Reduced:	FNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-57.39
Dipole, Da:	3.57
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)/C=C/C3=CC=CO3

DOS

IR

Vibrations