Geometry & MOs

Info

ID:	248773
PubChem CID:	103084262
Reduced:	ClO2N4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	309.999986
ΔH_f, kcal/mol:	11.9
Dipole, Da:	7.24
IP(EA), eV:	-9.0(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-[4-chloro-2-(trifluoromethyl)phenyl]tetrazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations