Geometry & MOs

Info

ID:	241576
PubChem CID:	96023743
Reduced:	FNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	285.152892
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	3.01
IP(EA), eV:	-8.88(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2,5-dimethylphenyl)methyl]-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations