Geometry & MOs

Info

ID:	248842
PubChem CID:	103084908
Reduced:	IN5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	329.01374
ΔH_f, kcal/mol:	103.22
Dipole, Da:	5.35
IP(EA), eV:	-9.37(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C2=CC=C(C=C2)I

DOS

IR

Vibrations