Geometry & MOs

Info

ID:	241368
PubChem CID:	96023299
Reduced:	FNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	298.111756
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	3.5
IP(EA), eV:	-8.84(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1,2-benzoxazol-3-ylmethyl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)[C@H]3C4=CC(=C(C=C4CCN3)F)O

DOS

IR

Vibrations