Geometry & MOs

Info

ID:	216565
PubChem CID:	85086433
Reduced:	ON2F3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	282.110338
ΔH_f, kcal/mol:	-136.78
Dipole, Da:	5.73
IP(EA), eV:	-9.03(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,5-dimethyl-2'-oxospiro[1,3-dioxane-2,4'-3,3a-dihydrocyclopenta[b]furan]-6'a-yl)methyl formate

Drug info:

PubChemData

Smile

CC1C(=C2C=C3C(=CC(=O)NC3=CC2=N1)C(F)(F)F)C

DOS

IR

Vibrations