Geometry & MOs

Info

ID:	324921
PubChem CID:	126678642
Reduced:	N2O3C10H18 (1)
Stoich.:	A2B3C10D18 (1)
Weight, g/mol:	254.18167
ΔH_f, kcal/mol:	-122.53
Dipole, Da:	4.5
IP(EA), eV:	-9.73(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-(1lambda4-thiatricyclo[2.1.0.01,3]pentan-2-yl)hex-1-en-2-yl]-N-methylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC(=C)N=C)CO

DOS

IR

Vibrations