Geometry & MOs

Info

ID:	248838
PubChem CID:	103084862
Reduced:	IN5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	99.82
Dipole, Da:	5.49
IP(EA), eV:	-9.58(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(3-ethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations