Geometry & MOs

Info

ID:	248841
PubChem CID:	103084879
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	371.06069
ΔH_f, kcal/mol:	45.39
Dipole, Da:	4.33
IP(EA), eV:	-9.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)C1=NN=NN1C2=CC(=CC=C2)OC

DOS

IR

Vibrations