Geometry & MOs

Info

ID:	27588
PubChem CID:	822366
Reduced:	NO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	292.073559
ΔH_f, kcal/mol:	-82.93
Dipole, Da:	3.32
IP(EA), eV:	-8.09(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxochromen-4-yl) 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations