Geometry & MOs

Info

ID:	248880
PubChem CID:	103085198
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	275.141596
ΔH_f, kcal/mol:	44.71
Dipole, Da:	8.17
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)N2C(=NN=N2)C(C)N

DOS

IR

Vibrations