Geometry & MOs

Info

ID:	173414
PubChem CID:	75637043
Reduced:	O2N5C7H14 (1)
Stoich.:	A2B5C7D14 (1)
Weight, g/mol:	294.181767
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	3.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755684
Charge, e:	-1

Chem-info

IUPAC name:

4-oxo-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1,3-diazinan-2-olate

Drug info:

PubChemData

Smile

C1COCC[N+]1=C2NC(NC(=O)N2)N

DOS

IR

Vibrations