Geometry & MOs

Info

ID:	241604
PubChem CID:	96023810
Reduced:	ClFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	286.091769
ΔH_f, kcal/mol:	-60.14
Dipole, Da:	3.33
IP(EA), eV:	-8.87(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[(1R)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations