Geometry & MOs

Info

ID:	294508
PubChem CID:	117465134
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	5.23
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-fluoro-3-(methoxymethyl)phenyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

COCC1=CC(=C(C(=C1)Br)F)C2CCCN2

DOS

IR

Vibrations