Geometry & MOs

Info

ID:	441865
PubChem CID:	135246163
Reduced:	OF3N6H19C21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	432.171002
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	5.96
IP(EA), eV:	-8.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol

Drug info:

PubChemData

Smile

C1C(=CC=CN1)/C(=C(\C(=O)N=C(C2=C(C=CC(=C2)F)F)N)/N)/N(C3=CC=CC=C3F)N

DOS

IR

Vibrations