Geometry & MOs

Info

ID:	128402
PubChem CID:	51042895
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	325.09819
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	7.45
IP(EA), eV:	-9.54(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC=C2C(=O)NC(=O)NC2=O

DOS

IR

Vibrations