Geometry & MOs

Info

ID:	438858
PubChem CID:	135228616
Reduced:	O3C10H20 (1)
Stoich.:	A3B10C20 (1)
Weight, g/mol:	449.247855
ΔH_f, kcal/mol:	-169.23
Dipole, Da:	4.29
IP(EA), eV:	-10.05(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1S)-2-[(6R)-6-fluoro-7-methyl-6,7-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C1)OCC(CO)O

DOS

IR

Vibrations