Geometry & MOs

Info

ID:	249120
PubChem CID:	103086954
Reduced:	SN5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	301.139488
ΔH_f, kcal/mol:	46.49
Dipole, Da:	5.67
IP(EA), eV:	-8.77(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(1,4-dithian-2-ylmethyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1CC2CCSCC2

DOS

IR

Vibrations