Geometry & MOs

Info

ID:	261162
PubChem CID:	103220716
Reduced:	ClION2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	307.088768
ΔH_f, kcal/mol:	20.96
Dipole, Da:	3.43
IP(EA), eV:	-9.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-2-fluorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C#N)N(C)C(=O)C1=CC(=C(C=C1)I)Cl

DOS

IR

Vibrations