Geometry & MOs

Info

ID:	4237
PubChem CID:	11020
Reduced:	BrN2O3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	288.01095
ΔH_f, kcal/mol:	-139.42
Dipole, Da:	3.45
IP(EA), eV:	-10.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromoprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)C1(C(=O)NC(=O)NC1=O)CC(=C)Br

DOS

IR

Vibrations