Geometry & MOs

Info

ID:

434341

PubChem CID:

135174713

Reduced:

O2N6C45H88 (1)

Stoich.:

A2B6C45D88 (1)

Weight, g/mol:

520.257337

ΔHf, kcal/mol:

-167.98

Dipole, Da:

4.29

IP(EA), eV:

 -8.17(2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-3-[3-[4-[2-[3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]-1,2-oxazol-5-yl]ethyl]phenoxy]propoxymethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@@H](CC[C@H](C)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C)[C@@H](C)N3C[C@H]4C[C@@H]3CN4[C@H](C)[C@@H](C)CCC(C)(C)OCCN5CCN(CC5)CCOC(C)(C)C

DOS

IR

Vibrations