Geometry & MOs

Info

ID:	241260
PubChem CID:	96022259
Reduced:	BrNF2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	238.128155
ΔH_f, kcal/mol:	-89.39
Dipole, Da:	1.82
IP(EA), eV:	-8.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations