Geometry & MOs

Info

ID:	412777
PubChem CID:	135085704
Reduced:	BrOZnH5C9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	283.0008
ΔH_f, kcal/mol:	79.82
Dipole, Da:	4.08
IP(EA), eV:	-9.95(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-fluorophenyl)methyl]-N-methylbut-2-ynamide

Drug info:

PubChemData

Smile

[C-]#CC(=O)C1=CC=CC=C1.[Zn+]Br

DOS

IR

Vibrations