Geometry & MOs

Info

ID:	248772
PubChem CID:	103084258
Reduced:	ClN2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	268.072703
ΔH_f, kcal/mol:	70.22
Dipole, Da:	5.01
IP(EA), eV:	-9.94(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-(3,4-dimethoxyphenyl)tetrazole

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(=NN=N2)C(C)Cl

DOS

IR

Vibrations