Geometry & MOs

Info

ID:	31578
PubChem CID:	855895
Reduced:	OSN5H9C11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	326.129824
ΔH_f, kcal/mol:	110.44
Dipole, Da:	6.63
IP(EA), eV:	-8.97(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-tert-butylphenyl)-1-(3-chloro-2-methylphenyl)tetrazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)N3C=NN=N3

DOS

IR

Vibrations