Geometry & MOs

Info

ID:	270956
PubChem CID:	103639000
Reduced:	BrON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	331.02079
ΔH_f, kcal/mol:	24.36
Dipole, Da:	3.38
IP(EA), eV:	-9.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC=NN2

DOS

IR

Vibrations