Geometry & MOs

Info

ID:	153481
PubChem CID:	56312704
Reduced:	FN3O3C26H30 (1)
Stoich.:	AB3C3D26E30 (1)
Weight, g/mol:	438.139113
ΔH_f, kcal/mol:	-112.98
Dipole, Da:	7.61
IP(EA), eV:	-9.35(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations