Geometry & MOs

Info

ID:	128399
PubChem CID:	51042892
Reduced:	O4N5H7C8 (1)
Stoich.:	A4B5C7D8 (1)
Weight, g/mol:	369.04767
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	3.91
IP(EA), eV:	-10.03(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-bromo-2-methylanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

C(C#N)C(=O)NNC=C1C(=O)NC(=O)NC1=O

DOS

IR

Vibrations