Geometry & MOs

Info

ID:	248812
PubChem CID:	103084615
Reduced:	ClSN4C9H15 (1)
Stoich.:	ABC4D9E15 (1)
Weight, g/mol:	330.94716
ΔH_f, kcal/mol:	35.83
Dipole, Da:	4.73
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-nitrophenyl)-5-(1-chloroethyl)tetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2(CCCS2)C)Cl

DOS

IR

Vibrations