Geometry & MOs

Info

ID:	54930
PubChem CID:	17389557
Reduced:	SN4O6C12H16 (1)
Stoich.:	AB4C6D12E16 (1)
Weight, g/mol:	343.09504
ΔH_f, kcal/mol:	-207.8
Dipole, Da:	4.89
IP(EA), eV:	-9.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-3-oxo-5-phenyl-1H-pyrazole-2-carboximidamide;sulfuric acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations