Geometry & MOs

Info

ID:	289593
PubChem CID:	104359899
Reduced:	BrON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	335.0321
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	3.32
IP(EA), eV:	-8.68(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-fluoro-2-methylaniline

Drug info:

PubChemData

Smile

CCN1CCCC1CNCC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations