Geometry & MOs

Info

ID:	209489
PubChem CID:	80678614
Reduced:	BrFNOC15H17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	309.07283
ΔH_f, kcal/mol:	3.2
Dipole, Da:	5.38
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CC3=CC=C(C=C3)F)Br

DOS

IR

Vibrations