Geometry & MOs

Info

ID:	223383
PubChem CID:	85334945
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	302.09906
ΔH_f, kcal/mol:	5.3
Dipole, Da:	2.02
IP(EA), eV:	-8.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-3-oxo-N-(5-pyridin-4-ylpyrazolidin-3-yl)butanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCON=C(C2=C[N+](=CC=C2)[O-])Cl

DOS

IR

Vibrations