Geometry & MOs

Info

ID:	173275
PubChem CID:	75616642
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-56.9
Dipole, Da:	3.87
IP(EA), eV:	-8.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)N2CCCCCCC2)OCC#N

DOS

IR

Vibrations