Geometry & MOs

Info

ID:	242127
PubChem CID:	96026415
Reduced:	ClFON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	292.077869
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	5.64
IP(EA), eV:	-8.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-chloropyridin-4-yl)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCN[C@H]2C3=CC(=NC=C3)Cl)C=C1)F

DOS

IR

Vibrations