Geometry & MOs

Info

ID:

54048

PubChem CID:

14719765

Reduced:

N2O5C38H44 (1)

Stoich.:

A2B5C38D44 (1)

Weight, g/mol:

510.187225

ΔHf, kcal/mol:

-141.46

Dipole, Da:

7.55

IP(EA), eV:

 -9.31(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dichloro-2,3-dihydro-1-benzofuran-5-yl]-(2-hexylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC

DOS

IR

Vibrations