Geometry & MOs

Info

ID:	82164
PubChem CID:	49855711
Reduced:	O3N8H18C23 (1)
Stoich.:	A3B8C18D23 (1)
Weight, g/mol:	537.187541
ΔH_f, kcal/mol:	107.81
Dipole, Da:	11.15
IP(EA), eV:	-8.69(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#N)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)C5(COC5)CC#N

DOS

IR

Vibrations