Geometry & MOs

Info

ID:	380412
PubChem CID:	134970856
Reduced:	O5C15H16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	290.115424
ΔH_f, kcal/mol:	-187.04
Dipole, Da:	6.29
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1'R,5S)-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclopentane]-1'-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)C3=CC4=C(C=C3CCO2)OCO4)C(=O)O

DOS

IR

Vibrations