Geometry & MOs

Info

ID:	241270
PubChem CID:	96022295
Reduced:	BrNF2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	281.082762
ΔH_f, kcal/mol:	-92.82
Dipole, Da:	2.09
IP(EA), eV:	-9.27(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,3-difluorophenyl)-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations