Geometry & MOs

Info

ID:	79865
PubChem CID:	49830907
Reduced:	N2H5C6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	440.066316
ΔH_f, kcal/mol:	92.43
Dipole, Da:	3.33
IP(EA), eV:	-8.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C3N2C(=NC=C3)N

DOS

IR

Vibrations