Geometry & MOs

Info

ID:	337085
PubChem CID:	127256650
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	286.084124
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	3.59
IP(EA), eV:	-9.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl] acetate

Drug info:

PubChemData

Smile

COC1=CC(=O)OC(=C1)/C=C/CCC2=CC=CC=C2

DOS

IR

Vibrations