Geometry & MOs

Info

ID:	248945
PubChem CID:	103085784
Reduced:	ON5C9H19 (1)
Stoich.:	AB5C9D19 (1)
Weight, g/mol:	241.19026
ΔH_f, kcal/mol:	11.1
Dipole, Da:	5.55
IP(EA), eV:	-9.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCOCC(C)N1C(=NN=N1)C(C)NC

DOS

IR

Vibrations