Geometry & MOs

Info

ID:	248795
PubChem CID:	103084496
Reduced:	ClN4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	268.089102
ΔH_f, kcal/mol:	14.79
Dipole, Da:	6.58
IP(EA), eV:	-11.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-[1-(4-fluorophenyl)propan-2-yl]tetrazole

Drug info:

PubChemData

Smile

CC(C)CCCC(C)N1C(=NN=N1)C(C)Cl

DOS

IR

Vibrations