Geometry & MOs

Info

ID:	261159
PubChem CID:	103220535
Reduced:	INCl2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	307.088768
ΔH_f, kcal/mol:	30.9
Dipole, Da:	3.99
IP(EA), eV:	-9.15(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Cl)C(C2=CC(=C(C=C2)I)Cl)N

DOS

IR

Vibrations