Geometry & MOs

Info

ID:	241421
PubChem CID:	96023386
Reduced:	FON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	290.179442
ΔH_f, kcal/mol:	-83.41
Dipole, Da:	3.2
IP(EA), eV:	-8.73(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-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=C(CCN3)C=CC(=C4F)O

DOS

IR

Vibrations