Geometry & MOs

Info

ID:	249112
PubChem CID:	103086897
Reduced:	SN5C12H25 (1)
Stoich.:	AB5C12D25 (1)
Weight, g/mol:	257.167417
ΔH_f, kcal/mol:	33.95
Dipole, Da:	7.47
IP(EA), eV:	-8.79(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2-methyl-2-methylsulfanylpropyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1CC(C)(C)SC

DOS

IR

Vibrations