Geometry & MOs

Info

ID:	184246
PubChem CID:	77133378
Reduced:	ClO2N5C10H12 (1)
Stoich.:	AB2C5D10E12 (1)
Weight, g/mol:	247.072369
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	2.45
IP(EA), eV:	-8.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,4-dioxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC2=CN=C(C=C2)NN)Cl

DOS

IR

Vibrations