Geometry & MOs

Info

ID:	248775
PubChem CID:	103084266
Reduced:	ClN4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	299.97774
ΔH_f, kcal/mol:	75.59
Dipole, Da:	7.09
IP(EA), eV:	-9.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-methylphenyl)-5-(1-chloroethyl)tetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC3=C(CCC3)C=C2)Cl

DOS

IR

Vibrations