Geometry & MOs

Info

ID:

170006

PubChem CID:

75179573

Reduced:

NaF3N3O13C30H39 (1)

Stoich.:

AB3C3D13E30F39 (1)

Weight, g/mol:

623.320665

ΔHf, kcal/mol:

-706.68

Dipole, Da:

30.18

IP(EA), eV:

 -8.44(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[[1-(9-hydroxynonyl)triazol-4-yl]methoxy]-3,5-dimethoxyphenyl]-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CO)O)OC(CN4C=C(N=N4)C5=CC(=CC=C5)C(F)(F)F)C(=O)[O-])O)O)O)O.[Na+]

DOS

IR

Vibrations