Geometry & MOs

Info

ID:

188468

PubChem CID:

77721876

Reduced:

N7O8C48H61 (1)

Stoich.:

A7B8C48D61 (1)

Weight, g/mol:

455.279549

ΔHf, kcal/mol:

-235.9

Dipole, Da:

10.08

IP(EA), eV:

 -8.56(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[1-ethoxyethoxy-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCC2=C3C(=C(C=C2)O)NC(=O)CO3)CCN4CCC(C4C(=O)O)OCCC5=CC(=CC=C5)CN6CCC7(CC6)CN(CCO7)C(=O)C8=NN9C=CC=CC9=C8

DOS

IR

Vibrations