Geometry & MOs

Info

ID:	446195
PubChem CID:	135273068
Reduced:	OC3H6 (3)
Stoich.:	AB3C6 (3)
Weight, g/mol:	457.188923
ΔH_f, kcal/mol:	-162.86
Dipole, Da:	3.3
IP(EA), eV:	-9.88(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[methyl-(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)amino]acetate

Drug info:

PubChemData

Smile

CC1CC(C(C(C1C)O)O)OC

DOS

IR

Vibrations