Geometry & MOs

Info

ID:	47960
PubChem CID:	10536050
Reduced:	OS2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	200.200097
ΔH_f, kcal/mol:	-23.98
Dipole, Da:	1.26
IP(EA), eV:	-8.71(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1,4,7,10-tetrazacyclododecane

Drug info:

PubChemData

Smile

C1COCCSCC2=C1SC=C2

DOS

IR

Vibrations