Geometry & MOs

Info

ID:	241193
PubChem CID:	96021860
Reduced:	FNH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	296.112505
ΔH_f, kcal/mol:	-27.18
Dipole, Da:	3.84
IP(EA), eV:	-9.38(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline

Drug info:

PubChemData

Smile

C[C@@H](C#N)C1=CC=CC(=C1)[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations