Geometry & MOs

Info

ID:	339236
PubChem CID:	127260615
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-113.45
Dipole, Da:	5.2
IP(EA), eV:	-9.96(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2-benzoyloxy-3-oxocyclohexyl] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C(C)C)C(=O)OC2CCCCC2

DOS

IR

Vibrations