Geometry & MOs

Info

ID:	54616
PubChem CID:	17388993
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	44.61
Dipole, Da:	4.25
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylmorpholine;4-oxo-2-sulfanyl-1-azaspiro[5.5]undec-2-ene-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCO.CC1CCC2(CC1)C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C

DOS

IR

Vibrations