Geometry & MOs

Info

ID:

219590

PubChem CID:

85149386

Reduced:

FON3C17H17 (2)

Stoich.:

ABC3D17E17 (2)

Weight, g/mol:

596.298533

ΔHf, kcal/mol:

-54.36

Dipole, Da:

6.35

IP(EA), eV:

 -8.68(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[3,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]phenyl]propan-2-yloxy]-1,3-dimethoxy-5-prop-1-enylbenzene

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN(C)C2=NC=C(C(=N2)NC(CC3=CC=C(C=C3)C4=C(C=CC=C4F)F)C(=O)O)C5=CC=CC=C5C#N

DOS

IR

Vibrations