Geometry & MOs

Info

ID:	291849
PubChem CID:	113585050
Reduced:	BrClON3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	344.94914
ΔH_f, kcal/mol:	7.95
Dipole, Da:	2.47
IP(EA), eV:	-9.28(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2-chloroprop-2-enylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

C=C(CNC1=C(C=NN(C1=O)CC2CCC2)Br)Cl

DOS

IR

Vibrations