Geometry & MOs

Info

ID:	241257
PubChem CID:	96022253
Reduced:	BrNF2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	229.091435
ΔH_f, kcal/mol:	-96.11
Dipole, Da:	2.01
IP(EA), eV:	-9.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1S)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)([C@H]1C2=C(CCN1)C=C(C=C2F)F)Br

DOS

IR

Vibrations