Geometry & MOs

Info

ID:	406093
PubChem CID:	135076472
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-157.15
Dipole, Da:	3.45
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(2,2-dimethylpropanoyloxy)acetyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations