Geometry & MOs

Info

ID:	28759
PubChem CID:	829387
Reduced:	NSO2H15C20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	314.01671
ΔH_f, kcal/mol:	20.16
Dipole, Da:	3.74
IP(EA), eV:	-8.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromophenyl)-1-(4-methylphenyl)tetrazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=CC(=O)C4=CC=CO4

DOS

IR

Vibrations