Geometry & MOs

Info

ID:	241304
PubChem CID:	96022603
Reduced:	FNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	291.08262
ΔH_f, kcal/mol:	-57.59
Dipole, Da:	3.69
IP(EA), eV:	-8.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations