Geometry & MOs

Info

ID:	182272
PubChem CID:	76869547
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	494.152097
ΔH_f, kcal/mol:	-4.72
Dipole, Da:	7.11
IP(EA), eV:	-8.62(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=CC=N2)NC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations