Geometry & MOs

Info

ID:	424070
PubChem CID:	135121188
Reduced:	O3F4N5H19C24 (1)
Stoich.:	A3B4C5D19E24 (1)
Weight, g/mol:	472.036159
ΔH_f, kcal/mol:	-179.5
Dipole, Da:	1.79
IP(EA), eV:	-9.54(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[1-[[6-(difluoromethyl)-3-oxo-4H-pyridazin-4-yl]methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC(C1=C(C(=O)N(C=N1)CC2CC(C(=O)NN2)C3=CC=C(C=C3)F)OC4=CC=CC(=C4F)C#N)(F)F

DOS

IR

Vibrations