Geometry & MOs

Info

ID:	314295
PubChem CID:	126621200
Reduced:	N4O4F6C23H26 (1)
Stoich.:	A4B4C6D23E26 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-463.68
Dipole, Da:	7.1
IP(EA), eV:	-10.04(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[1-(methoxyamino)ethylidene]-5-methyl-2-phenylpyrazolidin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)[C@@H]2CN([C@H](O2)C(F)(F)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations