Geometry & MOs

Info

ID:	193242
PubChem CID:	78362769
Reduced:	FN2O5H27C30 (1)
Stoich.:	AB2C5D27E30 (1)
Weight, g/mol:	464.211136
ΔH_f, kcal/mol:	-138.1
Dipole, Da:	1.66
IP(EA), eV:	-8.96(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-1-(4-pentoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=CC=CC=N4)OC5CCC(CC5C3=O)F)OCC6=CC=CC=C6

DOS

IR

Vibrations