Geometry & MOs

Info

ID:	242133
PubChem CID:	96026458
Reduced:	FON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	272.132491
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	3.28
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-7-methoxy-1-(5-methylpyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@H](C2=C1)C3=NC=CC=N3)F

DOS

IR

Vibrations