Geometry & MOs

Info

ID:	28710
PubChem CID:	829103
Reduced:	N3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	206.062618
ΔH_f, kcal/mol:	58.1
Dipole, Da:	7.17
IP(EA), eV:	-9.2(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-2H-tetrazole-5-thione

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C3=CC=CC=C3

DOS

IR

Vibrations