Geometry & MOs

Info

ID:	380584
PubChem CID:	134971069
Reduced:	NO8C18H23 (1)
Stoich.:	AB8C18D23 (1)
Weight, g/mol:	290.115424
ΔH_f, kcal/mol:	-317.58
Dipole, Da:	2.14
IP(EA), eV:	-9.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,5S)-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isochromene-5,2'-cyclohexane]-1'-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@H](C(O1)CO)O)OCCCN2C(=O)C3=CC=CC=C3C2=O)O

DOS

IR

Vibrations