Geometry & MOs

Info

ID:	373380
PubChem CID:	131314423
Reduced:	BrON2H5C7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	189.08235
ΔH_f, kcal/mol:	-5.18
Dipole, Da:	0.31
IP(EA), eV:	-9.89(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methylthiomorpholine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)NC(=C1C#N)Br

DOS

IR

Vibrations