Geometry & MOs

Info

ID:

82341

PubChem CID:

49855912

Reduced:

O3N7H25C27 (1)

Stoich.:

A3B7C25D27 (1)

Weight, g/mol:

494.206639

ΔHf, kcal/mol:

61.58

Dipole, Da:

9.65

IP(EA), eV:

 -9.46(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)CN5C=NN=N5

DOS

IR

Vibrations