Geometry & MOs

Info

ID:	326424
PubChem CID:	126687526
Reduced:	ON4H20C27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	518.272199
ΔH_f, kcal/mol:	165.59
Dipole, Da:	4.93
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-[4-(N-(3-methylcyclohexa-2,4-dien-1-yl)anilino)phenyl]phenyl]-N-phenylaniline

Drug info:

PubChemData

Smile

C/C=C(\C=C/C#C)/OC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)N=CN5

DOS

IR

Vibrations