Geometry & MOs

Info

ID:	242110
PubChem CID:	96026312
Reduced:	FNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	273.12774
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	9.48
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-7-methoxy-1-(5-methylpyrazin-2-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCN[C@@H]2C#CC(=O)O)C=C1)F

DOS

IR

Vibrations