Geometry & MOs

Info

ID:	241199
PubChem CID:	96021914
Reduced:	NOF2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	254.123069
ΔH_f, kcal/mol:	-131.07
Dipole, Da:	3.64
IP(EA), eV:	-9.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1COCCC1[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations