Geometry & MOs

Info

ID:	241439
PubChem CID:	96023411
Reduced:	BrFNOC10H11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	207.105942
ΔH_f, kcal/mol:	-74.43
Dipole, Da:	1.74
IP(EA), eV:	-8.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-cyclopropyl-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)CBr

DOS

IR

Vibrations