Geometry & MOs

Info

ID:	25834
PubChem CID:	631522
Reduced:	F3N3O4C26H28 (1)
Stoich.:	A3B3C4D26E28 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-280.39
Dipole, Da:	5.47
IP(EA), eV:	-8.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(4-morpholin-4-ylphenyl)imino-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCCNC(=O)CCCC(=O)NC1=CC(=C(C2=C(C=CN=C12)C)OC3=CC=CC(=C3)C(F)(F)F)OC

DOS

IR

Vibrations