Geometry & MOs

Info

ID:	337844
PubChem CID:	127258467
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	-123.01
Dipole, Da:	5.15
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-4-methyloctan-2-yl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC=CC=C1NC(=O)C

DOS

IR

Vibrations