Geometry & MOs

Info

ID:	23245
PubChem CID:	602915
Reduced:	ClN3O3H14C21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	391.072369
ΔH_f, kcal/mol:	8.08
Dipole, Da:	5.47
IP(EA), eV:	-9.35(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-acetyl-5-phenylpyrazol-3-yl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC(=O)N1C(=CC(=N1)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations