Geometry & MOs

Info

ID:	311279
PubChem CID:	126590151
Reduced:	FNOSC24H28 (1)
Stoich.:	ABCDE24F28 (1)
Weight, g/mol:	328.07864
ΔH_f, kcal/mol:	-44.63
Dipole, Da:	3.39
IP(EA), eV:	-8.57(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,8E)-8-bromo-1-(2-morpholin-4-ylethyl)-4,5-dihydro-3H-azonin-2-one

Drug info:

PubChemData

Smile

CCC(C)/C=C(/C1=CC2=NC=CC(=C2S1)OC3=C(C=C(C=C3)C)F)\C(C)CC

DOS

IR

Vibrations