Geometry & MOs

Info

ID:	293562
PubChem CID:	117393223
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	1.96
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-1-benzofuran-5-yl)-N-methoxymethanamine

Drug info:

PubChemData

Smile

COC1=C2C(=C(C(=C1)CN)Br)C=CO2

DOS

IR

Vibrations