Geometry & MOs

Info

ID:	241194
PubChem CID:	96021865
Reduced:	FNH7C9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	296.112505
ΔH_f, kcal/mol:	-22.08
Dipole, Da:	3.61
IP(EA), eV:	-9.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations