Geometry & MOs

Info

ID:	205305
PubChem CID:	80084139
Reduced:	BrClO2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	316.98182
ΔH_f, kcal/mol:	-53.14
Dipole, Da:	2.62
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-4-chlorophenyl)oxane-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)CNC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations