Geometry & MOs

Info

ID:	45491
PubChem CID:	10514142
Reduced:	O3N5C9H13 (1)
Stoich.:	A3B5C9D13 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	4.78
IP(EA), eV:	-10.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1'S,5'R)-spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]oct-6-ene]-8'-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=NC(=N1)COC)NC(=O)C

DOS

IR

Vibrations