Geometry & MOs

Info

ID:	289601
PubChem CID:	104360002
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	400.92492
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	3.09
IP(EA), eV:	-8.87(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNCC1=CC(=CC2=C1OCC2)Br)O

DOS

IR

Vibrations