Geometry & MOs

Info

ID:	170689
PubChem CID:	75268357
Reduced:	ClFON3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	295.027917
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	7.74
IP(EA), eV:	-9.51(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1NC3=CN=NC(=O)C3Cl)C=CC=C2F

DOS

IR

Vibrations