Geometry & MOs

Info

ID:	217766
PubChem CID:	85088352
Reduced:	BrN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	399.211784
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	3.44
IP(EA), eV:	-9.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-azidohexoxymethoxy)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CC(=O)CC2C1C(NN2C3=CC=C(C=C3)Br)C4=C(C=C(C=C4)O)O

DOS

IR

Vibrations