Geometry & MOs

Info

ID:	249014
PubChem CID:	103086225
Reduced:	OSN5C9H19 (1)
Stoich.:	ABC5D9E19 (1)
Weight, g/mol:	229.136117
ΔH_f, kcal/mol:	22.39
Dipole, Da:	8.1
IP(EA), eV:	-8.81(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CCSC)NCCOC

DOS

IR

Vibrations