Geometry & MOs

Info

ID:	289588
PubChem CID:	104359879
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	335.0321
ΔH_f, kcal/mol:	-38.12
Dipole, Da:	3.61
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NCC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations