Geometry & MOs

Info

ID:	272639
PubChem CID:	103750646
Reduced:	BrFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	299.97321
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	2.81
IP(EA), eV:	-9.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NCC(=O)NCC#N)Br

DOS

IR

Vibrations