Geometry & MOs

Info

ID:	241211
PubChem CID:	96021988
Reduced:	FNH7C9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	235.08087
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	3.82
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-(furan-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)C3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations