Geometry & MOs

Info

ID:	242123
PubChem CID:	96026399
Reduced:	FNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	292.077869
ΔH_f, kcal/mol:	-69.16
Dipole, Da:	3.11
IP(EA), eV:	-8.69(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCN[C@H]2C3=COC=C3)C=C1)F

DOS

IR

Vibrations