Geometry & MOs

Info

ID:	379001
PubChem CID:	134228843
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-78.72
Dipole, Da:	5.93
IP(EA), eV:	-9.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[[(E,3E)-3-ethylidene-5-(2-methylpropoxy)hex-4-en-2-ylidene]amino]-2-methyl-N-oxobut-2-enamide

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C)\Cl)/C(=N/C(=C(\C)/C(=O)O)/C)C

DOS

IR

Vibrations