Geometry & MOs

Info

ID:	447046
PubChem CID:	135279786
Reduced:	F2N2O5C28H30 (1)
Stoich.:	A2B2C5D28E30 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-239.94
Dipole, Da:	5.23
IP(EA), eV:	-9.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]methylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C(C=C(C(=C2)COC3=NC=C(N=C3)C4CC4C(=O)O)F)F)C)OCCC(C)(C)O

DOS

IR

Vibrations