Geometry & MOs

Info

ID:	182836
PubChem CID:	76943432
Reduced:	BrFNO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	1.3
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(but-2-enoxymethyl)-1-benzofuran-2-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)NC(=O)C=CC2=CC=C(C=C2)F

DOS

IR

Vibrations