Geometry & MOs

Info

ID:	33072
PubChem CID:	7850693
Reduced:	NO5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	366.110338
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	3.43
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations