Geometry & MOs

Info

ID:

143056

PubChem CID:

53140534

Reduced:

N3O3C20H27 (1)

Stoich.:

A3B3C20D27 (1)

Weight, g/mol:

331.079076

ΔHf, kcal/mol:

-99.6

Dipole, Da:

4.38

IP(EA), eV:

-8.25(0.03)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide

Drug info:

PubChemData

Smile

COCCN1C=C2CCN(CC3=C2C1=CC=C3)C(=O)NCC4CCCO4

DOS

IR

Vibrations