Geometry & MOs

Info

ID:

381788

PubChem CID:

134972617

Reduced:

SeO2C6H10 (1)

Stoich.:

AB2C6D10 (1)

Weight, g/mol:

665.177964

ΔHf, kcal/mol:

-79.77

Dipole, Da:

1.22

IP(EA), eV:

-8.58(-0.29)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

31-methyl-33-(1-phenylethyl)-30-oxa-33-azaheptadecacyclo[10.8.8.813,17.528,28.35,25.04,22.08,35.09,29.016,43.020,38.021,39.023,36.024,40.026,41.027,44.029,34.037,42]tetratetraconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25(34),26,31,35,37,39,41,43-icosaene

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)[Se]C

DOS

IR

Vibrations