Geometry & MOs

Info

ID:	37400
PubChem CID:	8020685
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	281.081384
ΔH_f, kcal/mol:	-182.44
Dipole, Da:	4.77
IP(EA), eV:	-10.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations