Geometry & MOs

Info

ID:	241583
PubChem CID:	96023757
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	5.33
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations