Geometry & MOs

Info

ID:	55224
PubChem CID:	17389920
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	16.62
Dipole, Da:	4.26
IP(EA), eV:	-8.89(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C2=C(C(=O)NN2)CCN

DOS

IR

Vibrations