Geometry & MOs

Info

ID:	248779
PubChem CID:	103084328
Reduced:	ClN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	353.94947
ΔH_f, kcal/mol:	67.65
Dipole, Da:	7.38
IP(EA), eV:	-10.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)N2C(=NN=N2)C(C)Cl

DOS

IR

Vibrations