Geometry & MOs

Info

ID:	249119
PubChem CID:	103086947
Reduced:	OSN5C10H21 (1)
Stoich.:	ABC5D10E21 (1)
Weight, g/mol:	255.151767
ΔH_f, kcal/mol:	23.21
Dipole, Da:	4.25
IP(EA), eV:	-8.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-(thian-4-ylmethyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations