Geometry & MOs

Info

ID:	249121
PubChem CID:	103086962
Reduced:	S2N5C12H23 (1)
Stoich.:	A2B5C12D23 (1)
Weight, g/mol:	259.092538
ΔH_f, kcal/mol:	50.48
Dipole, Da:	6.62
IP(EA), eV:	-8.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,4-dithian-2-ylmethyl)tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1CC2CSCCS2

DOS

IR

Vibrations