Geometry & MOs

Info

ID:	426068
PubChem CID:	135135972
Reduced:	SF3N6C26H29 (1)
Stoich.:	AB3C6D26E29 (1)
Weight, g/mol:	284.133634
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	5.78
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoropropylamino)-5-[(E)-2-methylbut-1-enyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN(CC2=CC=CC=C2)[C@H]3CCCN(CC3)C4=C5C=C(SC5=NC=N4)CC(F)(F)F

DOS

IR

Vibrations