Geometry & MOs

Info

ID:	216969
PubChem CID:	85087052
Reduced:	NC11H14 (2)
Stoich.:	AB11C14 (2)
Weight, g/mol:	322.056779
ΔH_f, kcal/mol:	38.01
Dipole, Da:	1.45
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-chloroacetate

Drug info:

PubChemData

Smile

CC(C)CCC1C2CC(C2(C)C)C3=C1N=C(C=C3)C4=CC=CC=N4

DOS

IR

Vibrations