Geometry & MOs

Info

ID:	31068
PubChem CID:	854371
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	314.98949
ΔH_f, kcal/mol:	-105.69
Dipole, Da:	3.86
IP(EA), eV:	-9.84(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1[C@H](CNC1=O)C2=CC=CC=C2

DOS

IR

Vibrations