Geometry & MOs

Info

ID:	307058
PubChem CID:	125267419
Reduced:	NO2H11C13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	355.180839
ΔH_f, kcal/mol:	-38.14
Dipole, Da:	3.44
IP(EA), eV:	-8.82(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-(4-fluorophenyl)-4-[1-[2-(4H-imidazol-5-yl)ethylamino]ethylidene]-5-propylpyrazol-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@@H]2C(=C3C=CC=CC3=N2)[C@@H]4C5=CC=CC=C5C(=O)N4CC(=O)OC

DOS

IR

Vibrations