Geometry & MOs

Info

ID:

169643

PubChem CID:

75130927

Reduced:

O13C29H47 (2)

Stoich.:

A13B29C47 (2)

Weight, g/mol:

410.195405

ΔHf, kcal/mol:

-1210.62

Dipole, Da:

10.26

IP(EA), eV:

 -9.31(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(2-methoxyethoxy)pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1C(OC(C(C1OC)O)OC2C(OC(CC2OC)OC3CCC4(C5CCC6(C(CCC6(C5CC=C4C3)O)C(C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O)O)C)C)C)C

DOS

IR

Vibrations