Geometry & MOs

Info

ID:

299477

PubChem CID:

117683249

Reduced:

NH45C64 (1)

Stoich.:

AB45C64 (1)

Weight, g/mol:

446.194068

ΔHf, kcal/mol:

254.05

Dipole, Da:

0.97

IP(EA), eV:

 -8.03(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[3-hydroxy-2-(4-methoxybenzoyl)oxy-2-methylpropoxy]-2-methylpropan-2-yl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C(=CC=C2)C3=CC=CC(=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=C9C=CC=CC9=C(C1=CC=CC=C18)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations