Geometry & MOs

Info

ID:	270954
PubChem CID:	103638994
Reduced:	BrClINOH10C14 (1)
Stoich.:	ABCDEF10G14 (1)
Weight, g/mol:	299.01571
ΔH_f, kcal/mol:	14.56
Dipole, Da:	4.57
IP(EA), eV:	-9.41(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations