Geometry & MOs

Info

ID:	241370
PubChem CID:	96023302
Reduced:	FN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	298.111756
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	4.38
IP(EA), eV:	-9.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)CC3=NOC4=CC=CC=C43

DOS

IR

Vibrations