Geometry & MOs

Info

ID:	48384
PubChem CID:	10543328
Reduced:	N3O6H9C14 (1)
Stoich.:	A3B6C9D14 (1)
Weight, g/mol:	315.168188
ΔH_f, kcal/mol:	15.48
Dipole, Da:	4.95
IP(EA), eV:	-10.87(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3a-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6,6-dimethyl-3,4-dihydro-2H-[1,3]oxazolo[3,4-b][1,2]oxazole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=N\OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations