Geometry & MOs

Info

ID:	320696
PubChem CID:	126662560
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	190.113984
ΔH_f, kcal/mol:	-116.97
Dipole, Da:	6.35
IP(EA), eV:	-8.72(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-2-(methylaminomethylamino)but-3-ene-1-thiol

Drug info:

PubChemData

Smile

CC(=O)N.C1COC(CN1)OCC2=CC=CC=C2

DOS

IR

Vibrations