Geometry & MOs

Info

ID:	402151
PubChem CID:	135054665
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	322.120509
ΔH_f, kcal/mol:	-144.73
Dipole, Da:	5.34
IP(EA), eV:	-9.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4E)-3-oxo-6-phenylmethoxyhexa-1,4-dien-2-yl] benzoate

Drug info:

PubChemData

Smile

CCC(C(C(=O)OCC)NNC(=O)C1=CC=CC=C1)C(=O)C

DOS

IR

Vibrations