Geometry & MOs

Info

ID:	153589
PubChem CID:	56312844
Reduced:	FN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	443.175753
ΔH_f, kcal/mol:	-63.63
Dipole, Da:	0.61
IP(EA), eV:	-8.79(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=CC(=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations