Geometry & MOs

Info

ID:	148244
PubChem CID:	53787906
Reduced:	ON6C20H32 (1)
Stoich.:	AB6C20D32 (1)
Weight, g/mol:	448.188589
ΔH_f, kcal/mol:	15.84
Dipole, Da:	7.49
IP(EA), eV:	-9.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[4-[2-[4-(4-methyl-2,3-dioxopent-4-enoxy)phenyl]propan-2-yl]phenoxy]pent-4-ene-2,3-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)C(C1=CC=CC=N1)C2=NNN=N2

DOS

IR

Vibrations