Geometry & MOs

Info

ID:	287711
PubChem CID:	104252605
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	199.14331
ΔH_f, kcal/mol:	-38.47
Dipole, Da:	2.14
IP(EA), eV:	-8.98(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-methoxypropyl)tetrazol-1-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNCC1=CSC(=N1)CC2CCCCO2

DOS

IR

Vibrations