Geometry & MOs

Info

ID:	372586
PubChem CID:	131300309
Reduced:	BrClNO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	328.00726
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	1.94
IP(EA), eV:	-10.28(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-iodophenyl)-5-propyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CC(=O)O)C#N)Cl)CBr

DOS

IR

Vibrations