Geometry & MOs

Info

ID:	170688
PubChem CID:	75268160
Reduced:	N2O2S2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	279.057468
ΔH_f, kcal/mol:	-32.51
Dipole, Da:	3.48
IP(EA), eV:	-9.01(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

COCCCC1=NC(=O)C2C3=C(CSCC3)SC2=N1

DOS

IR

Vibrations