Geometry & MOs

Info

ID:	241375
PubChem CID:	96023315
Reduced:	FNOSC14H18 (1)
Stoich.:	ABCDE14F18 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-56.33
Dipole, Da:	2.02
IP(EA), eV:	-8.94(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(E)-3-(dimethylamino)prop-1-enyl]-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)CC3(CC3)CS

DOS

IR

Vibrations