Geometry & MOs

Info

ID:	248879
PubChem CID:	103085193
Reduced:	BrF3N5C11H11 (1)
Stoich.:	AB3C5D11E11 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	-52.74
Dipole, Da:	6.11
IP(EA), eV:	-9.8(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-propoxyphenyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations