Geometry & MOs

Info

ID:	242884
PubChem CID:	99213601
Reduced:	BrCl2N2O2H19C20 (1)
Stoich.:	AB2C2D2E19F20 (1)
Weight, g/mol:	362.96617
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	5.62
IP(EA), eV:	-9.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-chlorophenyl)-N-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1=C(C=C(C=C1)Br)Cl)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations