Geometry & MOs

Info

ID:	25760
PubChem CID:	630495
Reduced:	NOF6H9C15 (1)
Stoich.:	ABC6D9E15 (1)
Weight, g/mol:	404.256274
ΔH_f, kcal/mol:	-273.1
Dipole, Da:	5.24
IP(EA), eV:	-10.26(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3a,6-dimethyl-3,8-dioxo-9a-pentyl-1,2,4,5,5a,6a,7,10,10a,10b-decahydroindeno[5,4-f][1]benzofuran-6-yl)acetic acid

Drug info:

PubChemData

Smile

C1C(O1)C2=CC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations