Geometry & MOs

Info

ID:	248814
PubChem CID:	103084625
Reduced:	ClF2N4C5H7 (1)
Stoich.:	AB2C4D5E7 (1)
Weight, g/mol:	244.145474
ΔH_f, kcal/mol:	-46.32
Dipole, Da:	3.98
IP(EA), eV:	-11.46(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-octyltetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC(F)F)Cl

DOS

IR

Vibrations