Geometry & MOs

Info

ID:	441860
PubChem CID:	135246137
Reduced:	FON7C26H26 (1)
Stoich.:	ABC7D26E26 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	104.18
Dipole, Da:	6.4
IP(EA), eV:	-8.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-[4-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylprop-1-en-1-amine

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)C3=NOC(=N3)/C(=C(\C4=CC=NC=C4)/N(C5=CC=CC=C5F)N)/N

DOS

IR

Vibrations