Geometry & MOs

Info

ID:	270079
PubChem CID:	103626163
Reduced:	BrFNSC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	312.99361
ΔH_f, kcal/mol:	8.72
Dipole, Da:	1.99
IP(EA), eV:	-9.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-N-[(3-fluorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCCC2=CC=C(S2)Br)F

DOS

IR

Vibrations