Geometry & MOs

Info

ID:

426389

PubChem CID:

135143785

Reduced:

ON4H32C51 (1)

Stoich.:

AB4C32D51 (1)

Weight, g/mol:

447.194677

ΔHf, kcal/mol:

236.02

Dipole, Da:

2.45

IP(EA), eV:

 -8.28(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-methyl-4-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-phenylmethoxy-N-pyridin-3-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=C1C2=CC=CC=C2OC1=CC=C9

DOS

IR

Vibrations