Geometry & MOs

Info

ID:	207959
PubChem CID:	80474679
Reduced:	BrFNSH7C10 (1)
Stoich.:	ABCDE7F10 (1)
Weight, g/mol:	266.97173
ΔH_f, kcal/mol:	0.67
Dipole, Da:	2.83
IP(EA), eV:	-8.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromothiophen-2-yl)-4-methylaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C2=C(C=CS2)Br)N

DOS

IR

Vibrations