Geometry & MOs

Info

ID:	241210
PubChem CID:	96021981
Reduced:	NF2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	296.112505
ΔH_f, kcal/mol:	-46.4
Dipole, Da:	2.74
IP(EA), eV:	-9.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(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)[C@H]3C[C@H]4C[C@@H]3C=C4

DOS

IR

Vibrations