Geometry & MOs

Info

ID:	29431
PubChem CID:	833722
Reduced:	ClOSN5H8C9 (1)
Stoich.:	ABCD5E8F9 (1)
Weight, g/mol:	310.087291
ΔH_f, kcal/mol:	55.38
Dipole, Da:	2.95
IP(EA), eV:	-9.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylidene-2-(3-chloro-4-methylphenyl)-5-methylpyrazol-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C(=NN=N2)SCC(=O)N

DOS

IR

Vibrations