Geometry & MOs

Info

ID:	430239
PubChem CID:	135170303
Reduced:	NO2H23C27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	495.219829
ΔH_f, kcal/mol:	22.58
Dipole, Da:	2.18
IP(EA), eV:	-8.11(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(4-methyl-N-(4-methylphenyl)anilino)-3-phenylphenyl]phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

C1COC(O1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations