Geometry & MOs

Info

ID:	202466
PubChem CID:	79675575
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	2.19
IP(EA), eV:	-9.71(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(propylamino)pyridine-3-carbonyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

COCCONC(=O)C1=CC2=NC=CN=C2C=C1

DOS

IR

Vibrations