Geometry & MOs

Info

ID:	83039
PubChem CID:	49857045
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	498.15149
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	4.99
IP(EA), eV:	-9.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1/C(=C(\C2=CC=C(C=C2)C)/O)/C(=O)C(=O)N1C3=NN=C(C=C3)C

DOS

IR

Vibrations