Geometry & MOs

Info

ID:	83964
PubChem CID:	49862931
Reduced:	O3N4C29H36 (1)
Stoich.:	A3B4C29D36 (1)
Weight, g/mol:	548.288637
ΔH_f, kcal/mol:	-61.7
Dipole, Da:	3.6
IP(EA), eV:	-8.68(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[3,5-dioxo-4-[1-(prop-2-enoxyamino)butylidene]cyclohexyl]phenyl]-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1C2=CC=CC=C2)OCC)CN3CCC(CC3)NC(=O)C4=CN=C(C=C4)NC

DOS

IR

Vibrations