Geometry & MOs

Info

ID:	241420
PubChem CID:	96023384
Reduced:	FON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	290.179442
ΔH_f, kcal/mol:	-39.41
Dipole, Da:	4.38
IP(EA), eV:	-9.07(-0.44)
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]-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

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CC1=C(C(=NC=N1)C)[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations