Geometry & MOs

Info

ID:	227020
PubChem CID:	87559687
Reduced:	AlNOC21H22 (1)
Stoich.:	ABCD21E22 (1)
Weight, g/mol:	115.063329
ΔH_f, kcal/mol:	-21.83
Dipole, Da:	4.1
IP(EA), eV:	-8.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c]dioxazole

Drug info:

PubChemData

Smile

CC[Al](CC)NC(=O)C1=C(C=CC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations