Geometry & MOs

Info

ID:

222091

PubChem CID:

85293924

Reduced:

NO5C35H39 (1)

Stoich.:

AB5C35D39 (1)

Weight, g/mol:

553.340338

ΔHf, kcal/mol:

-114.02

Dipole, Da:

4.97

IP(EA), eV:

 -9.32(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10-(2,2-diethyl-1,3-dioxolan-4-yl)-7-methoxy-9-[(4-methoxyphenyl)methoxy]-2,6,8-trimethyldeca-1,3,5-trienyl]-2-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC2C(C(C(C(C2O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O

DOS

IR

Vibrations