Geometry & MOs

Info

ID:	276702
PubChem CID:	103824740
Reduced:	BrClON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	318.96108
ΔH_f, kcal/mol:	-4.4
Dipole, Da:	3.56
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C#N)C(=O)NC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations