Geometry & MOs

Info

ID:	429886
PubChem CID:	135169940
Reduced:	ISO2N6H27C29 (1)
Stoich.:	ABC2D6E27F29 (1)
Weight, g/mol:	299.079408
ΔH_f, kcal/mol:	59.92
Dipole, Da:	3.6
IP(EA), eV:	-8.6(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,4,4-trifluoro-2-[5-fluoro-6-(triazol-2-yl)pyridin-3-yl]-3-methylbut-2-en-1-imine

Drug info:

PubChemData

Smile

C1COCCC1CNC2=CN=C3C=CC(=CC3=C2)C4=CN(C5=C4C=C(C=N5)C(=O)NCC6=CN=CC=C6)SI

DOS

IR

Vibrations