Geometry & MOs

Info

ID:	249118
PubChem CID:	103086945
Reduced:	OSN5C9H19 (1)
Stoich.:	ABC5D9E19 (1)
Weight, g/mol:	259.146681
ΔH_f, kcal/mol:	29.23
Dipole, Da:	5.29
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(3-methylsulfinylpropyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1CCCS(=O)C

DOS

IR

Vibrations