Geometry & MOs

Info

ID:	202464
PubChem CID:	79674894
Reduced:	OSN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	15.03
Dipole, Da:	4.09
IP(EA), eV:	-8.76(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2CCOC(C2)C#N)C

DOS

IR

Vibrations