Geometry & MOs

Info

ID:	248816
PubChem CID:	103084635
Reduced:	BrClON4C10H10 (1)
Stoich.:	ABCD4E10F10 (1)
Weight, g/mol:	230.129824
ΔH_f, kcal/mol:	50.58
Dipole, Da:	7.31
IP(EA), eV:	-9.81(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-(2,3,3-trimethylbutyl)tetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC(=CC(=C2)Br)OC)Cl

DOS

IR

Vibrations