Geometry & MOs

Info

ID:	380441
PubChem CID:	134970891
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	290.115424
ΔH_f, kcal/mol:	-42.38
Dipole, Da:	4.43
IP(EA), eV:	-9.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(C(=C)C(=O)O1)C2=C(ON=C2C3=CC=CC=C3)C

DOS

IR

Vibrations