Geometry & MOs

Info

ID:	375738
PubChem CID:	134221728
Reduced:	O5C27H29 (2)
Stoich.:	A5B27C29 (2)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-302.86
Dipole, Da:	2.8
IP(EA), eV:	-8.61(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-1,3,3a,4,5,10b-hexahydro-[1,3]benzodioxolo[5,6-g][2,1]benzoxazole

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OC1CC(OC1COCC2=CC=CC=C2)OCC(C(C(COCC3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations