Geometry & MOs

Info

ID:	339583
PubChem CID:	127261573
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	336.193674
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	3.68
IP(EA), eV:	-9.06(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hexanoyloxybutan-2-yloxy)ethyl benzoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(C#N)C1=C(C(=CC=C1)OC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations