Geometry & MOs

Info

ID:	241436
PubChem CID:	96023406
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	259.0008
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	4.12
IP(EA), eV:	-8.69(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)CC3=CC=C(C=C3)O

DOS

IR

Vibrations