Geometry & MOs

Info

ID:	124483
PubChem CID:	50884880
Reduced:	ClN2O4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	370.131742
ΔH_f, kcal/mol:	-55.85
Dipole, Da:	6.07
IP(EA), eV:	-8.77(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations