Geometry & MOs

Info

ID:	241540
PubChem CID:	96023597
Reduced:	N2O3C20H32 (1)
Stoich.:	A2B3C20D32 (1)
Weight, g/mol:	233.121592
ΔH_f, kcal/mol:	-112.74
Dipole, Da:	2.66
IP(EA), eV:	-8.28(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-[(1E,3E)-penta-1,3-dienyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCN2CCC(CC2)N3CCO[C@H](C3)C

DOS

IR

Vibrations