Geometry & MOs

Info

ID:	5895
PubChem CID:	13969
Reduced:	N2O5C16H24 (1)
Stoich.:	A2B5C16D24 (1)
Weight, g/mol:	324.168522
ΔH_f, kcal/mol:	-258.94
Dipole, Da:	3.81
IP(EA), eV:	-10.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] acetate

Drug info:

PubChemData

Smile

CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C

DOS

IR

Vibrations