Geometry & MOs

Info

ID:	241336
PubChem CID:	96023224
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	291.107085
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	3.8
IP(EA), eV:	-8.81(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-(2-fluoro-6-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations