Geometry & MOs

Info

ID:	128846
PubChem CID:	51060531
Reduced:	ClFN3O4H17C23 (1)
Stoich.:	ABC3D4E17F23 (1)
Weight, g/mol:	495.22704
ΔH_f, kcal/mol:	-105.31
Dipole, Da:	3.03
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2E)-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations