Geometry & MOs

Info

ID:	207958
PubChem CID:	80474303
Reduced:	BrOSN2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	270.94666
ΔH_f, kcal/mol:	15.03
Dipole, Da:	3.99
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=CS2)Br)O

DOS

IR

Vibrations