Geometry & MOs

Info

ID:	193234
PubChem CID:	78360745
Reduced:	FNO5C30H32 (1)
Stoich.:	ABC5D30E32 (1)
Weight, g/mol:	535.273401
ΔH_f, kcal/mol:	-173.58
Dipole, Da:	2.49
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxy-4-pentoxyphenyl)-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)N2CCC4=CC=CC=C4)OC5CCC(CC5C3=O)F)OCC=C

DOS

IR

Vibrations