Geometry & MOs

Info

ID:	248769
PubChem CID:	103084215
Reduced:	BrN3C14H14 (1)
Stoich.:	AB3C14D14 (1)
Weight, g/mol:	260.00318
ΔH_f, kcal/mol:	56.4
Dipole, Da:	3.45
IP(EA), eV:	-9.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-(2-chloro-4-fluorophenyl)tetrazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C3CNCC3=N2)C

DOS

IR

Vibrations