Geometry & MOs

Info

ID:	337928
PubChem CID:	127258551
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-77.17
Dipole, Da:	2.17
IP(EA), eV:	-8.92(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butanoyloxy-2-methylpropyl) benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations