Geometry & MOs

Info

ID:	379000
PubChem CID:	134228835
Reduced:	FON2H23C26 (1)
Stoich.:	ABC2D23E26 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	179.9
Dipole, Da:	2.63
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[[(E,3E)-5-chloro-3-ethylidenehex-4-en-2-ylidene]amino]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C=C)\C1=NC(=C(N1CC2=CC=CC3=C2C=CC#C3)C(=C)O)C4CC4)/F

DOS

IR

Vibrations