Geometry & MOs

Info

ID:	24952
PubChem CID:	615181
Reduced:	ClN5H8C12 (1)
Stoich.:	AB5C8D12 (1)
Weight, g/mol:	257.046823
ΔH_f, kcal/mol:	138.1
Dipole, Da:	6.29
IP(EA), eV:	-10.25(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-chlorophenyl)tetrazol-5-yl]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=NN=N2)C3=CC=NC=C3)Cl

DOS

IR

Vibrations