Geometry & MOs

Info

ID:	241593
PubChem CID:	96023775
Reduced:	NOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	295.057548
ΔH_f, kcal/mol:	-99.01
Dipole, Da:	4.06
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-chloro-4-fluorophenyl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)[C@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations