Geometry & MOs

Info

ID:	275729
PubChem CID:	103817302
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	296.031232
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	7.1
IP(EA), eV:	-9.51(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-5-nitropyridine-3-carbonyl)morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations