Geometry & MOs

Info

ID:	153390
PubChem CID:	56312578
Reduced:	N2F3O4C25H29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	485.149932
ΔH_f, kcal/mol:	-291.19
Dipole, Da:	3.54
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCCN(CC2)C(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations