Geometry & MOs

Info

ID:	249074
PubChem CID:	103086647
Reduced:	SO2N5C11H21 (1)
Stoich.:	AB2C5D11E21 (1)
Weight, g/mol:	314.98864
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	3.22
IP(EA), eV:	-9.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromo-4-chlorophenyl)tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CCCNC(C)C1=NN=NN1CC2CCCS2(=O)=O

DOS

IR

Vibrations