Geometry & MOs

Info

ID:	216471
PubChem CID:	85086286
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	272.125988
ΔH_f, kcal/mol:	-6.03
Dipole, Da:	7.24
IP(EA), eV:	-10.33(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8a-hydroxy-2,2-dimethyl-4a,5,6,7,8,8b-hexahydro-3aH-[1,3]dioxolo[4,5-b][1]benzofuran-5-yl) acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=O)N=C3C=C(C=CC3N2N=N1)C

DOS

IR

Vibrations