Geometry & MOs

Info

ID:	153971
PubChem CID:	56313328
Reduced:	FN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	4.82
IP(EA), eV:	-9.38(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CONC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations