Geometry & MOs

Info

ID:	31580
PubChem CID:	855898
Reduced:	ClN4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	284.082874
ΔH_f, kcal/mol:	114.96
Dipole, Da:	5.84
IP(EA), eV:	-9.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)tetrazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(=NN=N2)C3=CC=CC=C3

DOS

IR

Vibrations