Geometry & MOs

Info

ID:	44036
PubChem CID:	10500583
Reduced:	FeOH18C25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	390.085186
ΔH_f, kcal/mol:	338.97
Dipole, Da:	2.22
IP(EA), eV:	-7.26(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(4-nitrophenoxy)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=O)C#CC2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations