Geometry & MOs

Info

ID:	241369
PubChem CID:	96023301
Reduced:	FN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	298.111756
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	2.21
IP(EA), eV:	-9.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1,2-benzoxazol-3-ylmethyl)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=CC(=C2F)O)CC3=NOC4=CC=CC=C43

DOS

IR

Vibrations