Geometry & MOs

Info

ID:	317441
PubChem CID:	126637674
Reduced:	ClN5C25H28 (1)
Stoich.:	AB5C25D28 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	62.78
Dipole, Da:	5.88
IP(EA), eV:	-8.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-ethyl-2-(oxan-4-yl)-2H-pyrano[2,3-c]pyridin-3-yl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)NC1=NC2=C(C=CC(=C2)CCC3CCC(C3)N4C=CC5=C4N=CN=C5Cl)C=C1

DOS

IR

Vibrations