Geometry & MOs

Info

ID:	314266
PubChem CID:	126621087
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	500.38656
ΔH_f, kcal/mol:	58.85
Dipole, Da:	3.86
IP(EA), eV:	-8.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonan-5-yl 2-[[(1R,3aR,9aR)-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetate

Drug info:

PubChemData

Smile

CNC(=NC)C1=C2C=CNC2=CC=C1

DOS

IR

Vibrations