Geometry & MOs

Info

ID:	241453
PubChem CID:	96023434
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-86.74
Dipole, Da:	4.39
IP(EA), eV:	-8.75(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations