Geometry & MOs

Info

ID:	263746
PubChem CID:	103394824
Reduced:	BrFNOC15H23 (1)
Stoich.:	ABCDE15F23 (1)
Weight, g/mol:	371.03548
ΔH_f, kcal/mol:	-94.05
Dipole, Da:	4.4
IP(EA), eV:	-8.92(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCCC(C1=CC(=C(C=C1OC)F)Br)NCCC

DOS

IR

Vibrations