Geometry & MOs

Info

ID:	241584
PubChem CID:	96023760
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	1.94
IP(EA), eV:	-8.82(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-[(2,4,6-trimethylphenyl)methyl]-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)C

DOS

IR

Vibrations