Geometry & MOs

Info

ID:	55223
PubChem CID:	17389919
Reduced:	Cl2N2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-0.79
Dipole, Da:	6.42
IP(EA), eV:	-8.38(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-5-(2-methylsulfanylphenyl)-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

C1CC(NC1)CNC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations