Geometry & MOs

Info

ID:	241332
PubChem CID:	96022847
Reduced:	FON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	296.132491
ΔH_f, kcal/mol:	-22.59
Dipole, Da:	5.93
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(1H-indol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C[C@H](C#N)C1=CC=CC(=C1)[C@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations