Geometry & MOs

Info

ID:	340293
PubChem CID:	127262304
Reduced:	H5C9 (2)
Stoich.:	A5B9 (2)
Weight, g/mol:	268.203845
ΔH_f, kcal/mol:	174.84
Dipole, Da:	0.6
IP(EA), eV:	-8.7(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyl-2,2-dimethylhexyl) 2-cyclobutylacetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C2=C4C3=CC5=CC=CC=C54

DOS

IR

Vibrations