Geometry & MOs

Info

ID:	54931
PubChem CID:	17389558
Reduced:	SN5O5C12H17 (1)
Stoich.:	AB5C5D12E17 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	-137.67
Dipole, Da:	3.55
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-5-phenyl-1,2-dihydropyrazol-3-one;oxalic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=N)N)CCN.OS(=O)(=O)O

DOS

IR

Vibrations