Geometry & MOs

Info

ID:

299378

PubChem CID:

117682756

Reduced:

ON2H50C72 (1)

Stoich.:

AB2C50D72 (1)

Weight, g/mol:

400.188589

ΔHf, kcal/mol:

256.45

Dipole, Da:

1.84

IP(EA), eV:

 -8.12(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-methoxy-4-(methoxymethoxy)phenyl]-2-(2-methoxy-6-methyl-4-prop-2-enylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC(=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=CC(=CC=C6)C7=C(C(=CC=C7)O)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations