Geometry & MOs

Info

ID:	82489
PubChem CID:	49856093
Reduced:	ClO2N7H10C15 (1)
Stoich.:	AB2C7D10E15 (1)
Weight, g/mol:	493.21139
ΔH_f, kcal/mol:	66.38
Dipole, Da:	8.8
IP(EA), eV:	-8.85(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(imidazol-1-ylmethyl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C(=O)NC3=C(NN=C3)N4C=C(C=CC4=O)Cl)N=C1

DOS

IR

Vibrations