Geometry & MOs

Info

ID:	122580
PubChem CID:	50813096
Reduced:	ClFO3N4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	4.78
IP(EA), eV:	-9.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-(4-ethylphenyl)-3-oxopyridazin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=NN(C1=O)CC(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations