Geometry & MOs

Info

ID:	83578
PubChem CID:	49858061
Reduced:	ClON3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	658.217403
ΔH_f, kcal/mol:	58.93
Dipole, Da:	5.05
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations