Geometry & MOs

Info

ID:	242143
PubChem CID:	96026539
Reduced:	OF2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	2.29
IP(EA), eV:	-8.85(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2,3-dimethylphenyl)methyl]-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations