Geometry & MOs

Info

ID:	249115
PubChem CID:	103086915
Reduced:	O2N5C13H27 (1)
Stoich.:	A2B5C13D27 (1)
Weight, g/mol:	273.162332
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	6.95
IP(EA), eV:	-9.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOCCCN1C(=NN=N1)C(C)NCCOC

DOS

IR

Vibrations