Geometry & MOs

Info

ID:	312198
PubChem CID:	126603569
Reduced:	NO2H25C32 (1)
Stoich.:	AB2C25D32 (1)
Weight, g/mol:	355.23
ΔH_f, kcal/mol:	180.67
Dipole, Da:	6.02
IP(EA), eV:	-7.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-phenylaniline

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C3=CC=CC=C3N2CCC4=CC5=C(C(=C4)C(=O)C#CC6=CC=CC=C6)OCC=C5

DOS

IR

Vibrations