Geometry & MOs

Info

ID:	241577
PubChem CID:	96023745
Reduced:	FNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	287.11217
ΔH_f, kcal/mol:	-66.98
Dipole, Da:	3.75
IP(EA), eV:	-8.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C[C@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations