Geometry & MOs

Info

ID:	294540
PubChem CID:	117468317
Reduced:	BrFNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	289.01137
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	1.06
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1F)Br)OC)C(=O)CNC

DOS

IR

Vibrations