Geometry & MOs

Info

ID:	225591
PubChem CID:	85856287
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	554.220557
ΔH_f, kcal/mol:	44.46
Dipole, Da:	2.1
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-cyclohexylidene-5-methylcyclohexa-2,4-dien-1-yl)-2-methylphenyl]-4-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=C(C(=N2)N)CN)C3=CC=CC=C3

DOS

IR

Vibrations