Geometry & MOs

Info

ID:	241422
PubChem CID:	96023388
Reduced:	FON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	290.179442
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	5.29
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C[C@H](N2)[C@H]3C4=CC(=C(C=C4CCN3)F)O

DOS

IR

Vibrations