Geometry & MOs

Info

ID:	424289
PubChem CID:	135122060
Reduced:	ClO2N4H11C21 (1)
Stoich.:	AB2C4D11E21 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	51.32
Dipole, Da:	9.28
IP(EA), eV:	-8.71(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4E)-1-(4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]oct-1-en-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC3=C4C=CC(=O)C=C4OC5=C3C(=C(C(=N5)N)C#N)N2)Cl

DOS

IR

Vibrations