Geometry & MOs

Info

ID:	241470
PubChem CID:	96023455
Reduced:	FNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	247.137242
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	2.47
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1R)-cyclohex-3-en-1-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)[C@@H](C3=CC=C(C=C3)O)O

DOS

IR

Vibrations