Geometry & MOs

Info

ID:	249054
PubChem CID:	103086524
Reduced:	BrO2N6C12H15 (1)
Stoich.:	AB2C6D12E15 (1)
Weight, g/mol:	389.05127
ΔH_f, kcal/mol:	88.84
Dipole, Da:	3.08
IP(EA), eV:	-9.79(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C)C1=NN=NN1C2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations