Geometry & MOs

Info

ID:	241214
PubChem CID:	96022007
Reduced:	NOF2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	239.11217
ΔH_f, kcal/mol:	-121.92
Dipole, Da:	4.84
IP(EA), eV:	-9.06(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-[(2R)-oxolan-2-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1C[C@H](OC1)[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations