Geometry & MOs

Info

ID:	193228
PubChem CID:	78359352
Reduced:	BrN2O6C31H43 (1)
Stoich.:	AB2C6D31E43 (1)
Weight, g/mol:	528.263565
ΔH_f, kcal/mol:	-227.68
Dipole, Da:	1.45
IP(EA), eV:	-8.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxy-4-prop-2-enoxyphenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5CCC(CC5C3=O)Br)OC

DOS

IR

Vibrations