Geometry & MOs

Info

ID:	337864
PubChem CID:	127258487
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-93.51
Dipole, Da:	3.53
IP(EA), eV:	-9.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-[(2-nitrophenyl)methylidene]-3-oxocyclohexyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC/C=C/C1=CC=CC=C1C=O

DOS

IR

Vibrations