Geometry & MOs

Info

ID:	241497
PubChem CID:	96023491
Reduced:	FNOSH14C15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	263.168543
ΔH_f, kcal/mol:	-42.17
Dipole, Da:	2.63
IP(EA), eV:	-8.81(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-(2,2,3,3-tetramethylcyclopropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)C3=CC=C(C=C3)S

DOS

IR

Vibrations