Geometry & MOs

Info

ID:	128400
PubChem CID:	51042893
Reduced:	BrON3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	345.043567
ΔH_f, kcal/mol:	44.14
Dipole, Da:	4.34
IP(EA), eV:	-8.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(2,3-dichloroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)N/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C

DOS

IR

Vibrations