Geometry & MOs

Info

ID:	279312
PubChem CID:	103843027
Reduced:	BrNF2H6C9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	301.00262
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	3.6
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

C#CCNC1=CC(=C(C=C1F)Br)F

DOS

IR

Vibrations