Geometry & MOs

Info

ID:	388611
PubChem CID:	134989655
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	0.55
IP(EA), eV:	-8.97(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-but-2-enoyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

COC(=O)C/C=C(/C1=CC=CC=C1)\N2C=CC=C2

DOS

IR

Vibrations