Geometry & MOs

Info

ID:	279321
PubChem CID:	103843059
Reduced:	BrF2N2O2H9C13 (1)
Stoich.:	AB2C2D2E9F13 (1)
Weight, g/mol:	303.94814
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	2.92
IP(EA), eV:	-9.08(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC(=C(C=C2F)Br)F

DOS

IR

Vibrations