Geometry & MOs

Info

ID:	153593
PubChem CID:	56312851
Reduced:	FO3N4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	484.248584
ΔH_f, kcal/mol:	-76.34
Dipole, Da:	5.58
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC=C1NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations