Geometry & MOs

Info

ID:	248781
PubChem CID:	103084343
Reduced:	ClBr2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	252.077789
ΔH_f, kcal/mol:	80.84
Dipole, Da:	5.07
IP(EA), eV:	-9.59(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-(4-methoxy-3-methylphenyl)tetrazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations