Geometry & MOs

Info

ID:	242118
PubChem CID:	96026345
Reduced:	OF2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	276.107419
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	2.27
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-(2-fluoropyridin-3-yl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@@H](C2=C1)C3=C(N=CC=C3)F)F

DOS

IR

Vibrations