Geometry & MOs

Info

ID:	241565
PubChem CID:	96023722
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-78.77
Dipole, Da:	5.18
IP(EA), eV:	-9.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R)-1-bromopropyl]-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations