Geometry & MOs

Info

ID:

449269

PubChem CID:

135297264

Reduced:

NO2H51C56 (1)

Stoich.:

AB2C51D56 (1)

Weight, g/mol:

563.282429

ΔHf, kcal/mol:

80.58

Dipole, Da:

2.27

IP(EA), eV:

 -7.97(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylanilino)phenyl]methyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C(=C/C2=CC=C(C=C2)N(C3=CC=C(C=C3)/C=C(/C4=CC=CC=C4)\C5=CC(=C(C=C5)C)C)C6=C(C=C(C=C6)COC(=O)C(=C)C)C)/C7=CC=CC=C7)C

DOS

IR

Vibrations