Geometry & MOs

Info

ID:	242111
PubChem CID:	96026331
Reduced:	FON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	273.12774
ΔH_f, kcal/mol:	-21.4
Dipole, Da:	0.62
IP(EA), eV:	-8.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)[C@@H]2C3=C(CCN2)C=CC(=C3F)OC

DOS

IR

Vibrations