Geometry & MOs

Info

ID:	386567
PubChem CID:	134982175
Reduced:	FeNPO2H24C28 (1)
Stoich.:	ABCD2E24F28 (1)
Weight, g/mol:	438.116212
ΔH_f, kcal/mol:	107.62
Dipole, Da:	4.62
IP(EA), eV:	-7.97(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl (Z)-4-(5,5-diacetyloxy-6-oxocyclohexa-1,3-dien-1-yl)but-1-ene-1,2,4-tricarboxylate

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].C1CC=C[CH][C@@H]([CH-]1)C#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

DOS

IR

Vibrations