Geometry & MOs

Info

ID:	441863
PubChem CID:	135246158
Reduced:	OF4N6H18C23 (1)
Stoich.:	AB4C6D18E23 (1)
Weight, g/mol:	443.186987
ΔH_f, kcal/mol:	-35.98
Dipole, Da:	6.73
IP(EA), eV:	-9.19(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(N-amino-2-fluoroanilino)-2-pyridin-4-yl-1-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]ethenamine

Drug info:

PubChemData

Smile

C1C=CC(=CC=C1C2=NOC(=N2)/C(=C(\C3=CC=NC=C3)/N(C4=CC=CC=C4F)N)/N)C(F)(F)F

DOS

IR

Vibrations