Geometry & MOs

Info

ID:	441846
PubChem CID:	135245851
Reduced:	ON2F4H20C28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	487.213201
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	6.19
IP(EA), eV:	-8.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(N-amino-2-fluoroanilino)-1-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)COC2=CC=C(C=C2)C#CC3=CN=C(C=C3)C(CC4=C(C=C(C=C4)F)F)(F)F

DOS

IR

Vibrations