Geometry & MOs

Info

ID:	427627
PubChem CID:	135160834
Reduced:	ON8C24H24 (1)
Stoich.:	AB8C24D24 (1)
Weight, g/mol:	453.172479
ΔH_f, kcal/mol:	138.28
Dipole, Da:	2.9
IP(EA), eV:	-8.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluoro-3,5-dimethoxy-N-[5-(methylideneamino)-6-[(E)-1-(1-methylpyrazol-4-yl)ethylideneamino]pyridin-2-yl]anilino)acetonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)N(CC2=NN=CO2)C3=NC4=NC(=CN=C4C=C3)C5=CN(N=C5)C)CC

DOS

IR

Vibrations