Geometry & MOs

Info

ID:

424007

PubChem CID:

135121028

Reduced:

ClO3N5F6H8C18 (1)

Stoich.:

AB3C5D6E8F18 (1)

Weight, g/mol:

511.047058

ΔHf, kcal/mol:

-272.26

Dipole, Da:

3.92

IP(EA), eV:

 -10.11(-2.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-5-[1-[[5-(3,3-difluorocyclobutylidene)-6-oxopyridazin-3-yl]methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1=C(N=NC(=O)C1C(F)(F)F)CN2C=NC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations