Geometry & MOs

Info

ID:	154077
PubChem CID:	56313464
Reduced:	F3N3O3C25H28 (1)
Stoich.:	A3B3C3D25E28 (1)
Weight, g/mol:	443.16452
ΔH_f, kcal/mol:	-216.45
Dipole, Da:	5.27
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCCNC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC)C3=CC=CC=C3

DOS

IR

Vibrations