Geometry & MOs

Info

ID:	288635
PubChem CID:	104322140
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	4.54
IP(EA), eV:	-8.56(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC(=O)N2CC3CCC(C3C2)O

DOS

IR

Vibrations