Geometry & MOs

Info

ID:	242122
PubChem CID:	96026395
Reduced:	FON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	247.100857
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	1.8
IP(EA), eV:	-8.87(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(furan-3-yl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCN[C@H]2C3CNC3)C=C1)F

DOS

IR

Vibrations