Geometry & MOs

Info

ID:	249100
PubChem CID:	103086828
Reduced:	BrFN5C10H11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	326.01269
ΔH_f, kcal/mol:	56.6
Dipole, Da:	6.46
IP(EA), eV:	-10.03(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromo-4-methyl-5-nitrophenyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC(=C(C=C2)F)Br)NC

DOS

IR

Vibrations