Geometry & MOs

Info

ID:	182650
PubChem CID:	76918353
Reduced:	OS2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	252.074621
ΔH_f, kcal/mol:	5.46
Dipole, Da:	5.23
IP(EA), eV:	-8.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-3H-pyridine-3-carbonyl)morpholine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)SCC2=C(C=CS2)C#CCN

DOS

IR

Vibrations