Geometry & MOs

Info

ID:	64536
PubChem CID:	29202790
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	295.061136
ΔH_f, kcal/mol:	-176.05
Dipole, Da:	3.16
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(3-methoxypropyl)-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC2=C(C(=C1)OC)OCCO2

DOS

IR

Vibrations