Geometry & MOs

Info

ID:	241306
PubChem CID:	96022610
Reduced:	FNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	224.132491
ΔH_f, kcal/mol:	-131.84
Dipole, Da:	4.22
IP(EA), eV:	-8.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations