Geometry & MOs

Info

ID:	54928
PubChem CID:	17389552
Reduced:	ClON2C9H19 (1)
Stoich.:	ABC2D9E19 (1)
Weight, g/mol:	378.040083
ΔH_f, kcal/mol:	-89.14
Dipole, Da:	6.53
IP(EA), eV:	-8.83(1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-5-(4-chlorophenyl)-3-oxo-1H-pyrazole-2-carboxamide;sulfuric acid

Drug info:

PubChemData

Smile

C1CC(NC1)CN2CCOCC2.Cl

DOS

IR

Vibrations