Geometry & MOs

Info

ID:	153991
PubChem CID:	56313350
Reduced:	NF3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	470.232934
ΔH_f, kcal/mol:	-301.38
Dipole, Da:	4.4
IP(EA), eV:	-8.57(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCCNC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations