Geometry & MOs

Info

ID:	294501
PubChem CID:	117465015
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	1.61
IP(EA), eV:	-9.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)O)F)CC2CCCN2

DOS

IR

Vibrations