Geometry & MOs

Info

ID:	241238
PubChem CID:	96022165
Reduced:	NF2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	254.123069
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	3.5
IP(EA), eV:	-9.07(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CC=C1)[C@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations