Geometry & MOs

Info

ID:	154204
PubChem CID:	56313609
Reduced:	ClN2F3O4C22H24 (1)
Stoich.:	AB2C3D4E22F24 (1)
Weight, g/mol:	436.191069
ΔH_f, kcal/mol:	-305.6
Dipole, Da:	8.08
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCCCC(=O)NC2=CC=C(C=C2)Cl)OCC(F)(F)F

DOS

IR

Vibrations