Geometry & MOs

Info

ID:	390937
PubChem CID:	135001670
Reduced:	NO7H21C22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-243.2
Dipole, Da:	9.65
IP(EA), eV:	-9.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-oxooctan-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

C[C@H](C(C(=O)OC)C(=O)OC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations