Geometry & MOs

Info

ID:

395309

PubChem CID:

135025171

Reduced:

NO4H31C48 (1)

Stoich.:

AB4C31D48 (1)

Weight, g/mol:

498.225368

ΔHf, kcal/mol:

116.92

Dipole, Da:

8.02

IP(EA), eV:

 -8.11(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxyethyl (E)-3-[5-[3-[(E)-3-(2-ethoxyethoxy)-3-oxoprop-1-enyl]-4-methoxyphenyl]-2-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C3=CC4=C(C5=CC=CC=C5C(=C4C=C3C(=C2C=C1[N+](=O)[O-])C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations