Geometry & MOs

Info

ID:	124570
PubChem CID:	50887797
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	408.132136
ΔH_f, kcal/mol:	-59.17
Dipole, Da:	9.87
IP(EA), eV:	-8.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 3-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC=C)/C=N/NC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations