Geometry & MOs

Info

ID:	241226
PubChem CID:	96022138
Reduced:	BrNF2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	260.99647
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	1.71
IP(EA), eV:	-8.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(bromomethyl)-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)CBr

DOS

IR

Vibrations