Geometry & MOs

Info

ID:	248777
PubChem CID:	103084316
Reduced:	BrClN4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	266.093439
ΔH_f, kcal/mol:	76.43
Dipole, Da:	7.14
IP(EA), eV:	-9.46(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-(4-propan-2-yloxyphenyl)tetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2Br)Cl

DOS

IR

Vibrations