Geometry & MOs

Info

ID:	193233
PubChem CID:	78360271
Reduced:	NO6C30H35 (1)
Stoich.:	AB6C30D35 (1)
Weight, g/mol:	505.226451
ΔH_f, kcal/mol:	-185.32
Dipole, Da:	1.56
IP(EA), eV:	-8.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2CCCOC)OC4CCCCC4C3=O)OCC5=CC=CC=C5

DOS

IR

Vibrations