Geometry & MOs

Info

ID:	284049
PubChem CID:	104029877
Reduced:	BrN5C14H20 (1)
Stoich.:	AB5C14D20 (1)
Weight, g/mol:	347.01819
ΔH_f, kcal/mol:	57.66
Dipole, Da:	7.03
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]aniline

Drug info:

PubChemData

Smile

CCCCCC(C)N1C(=NN=N1)C2=C(C(=CC=C2)N)Br

DOS

IR

Vibrations