Geometry & MOs

Info

ID:	380410
PubChem CID:	134970854
Reduced:	NO4C10H13 (2)
Stoich.:	AB4C10D13 (2)
Weight, g/mol:	304.131074
ΔH_f, kcal/mol:	-318.48
Dipole, Da:	6.86
IP(EA), eV:	-9.72(-1.37)
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'-cyclohexane]-1'-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1[C@H](OC([C@@H](C1OCCCN2C(=O)C3=CC=CC=C3C2=O)O)CO)OC

DOS

IR

Vibrations