Geometry & MOs

Info

ID:	150571
PubChem CID:	53790264
Reduced:	BrCl2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-177.19
Dipole, Da:	3.53
IP(EA), eV:	-9.66(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxiran-2-ylmethyl)-3,5-dipropyl-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC(C)(C)C(=O)C(OC1=C(C=C(C=C1)Cl)Cl)Br

DOS

IR

Vibrations