Geometry & MOs

Info

ID:	248819
PubChem CID:	103084670
Reduced:	ClN4C7H11 (1)
Stoich.:	AB4C7D11 (1)
Weight, g/mol:	250.06551
ΔH_f, kcal/mol:	67.24
Dipole, Da:	6.05
IP(EA), eV:	-11.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-(3-methylsulfinylbutyl)tetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2(CC2)C)Cl

DOS

IR

Vibrations