Geometry & MOs

Info

ID:	153281
PubChem CID:	56312457
Reduced:	FN3O5H24C27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	436.154683
ΔH_f, kcal/mol:	-133.34
Dipole, Da:	4.76
IP(EA), eV:	-8.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations