Geometry & MOs

Info

ID:	386500
PubChem CID:	134981941
Reduced:	O5C15H16 (1)
Stoich.:	A5B15C16 (1)
Weight, g/mol:	332.198759
ΔH_f, kcal/mol:	-179.96
Dipole, Da:	2.94
IP(EA), eV:	-9.74(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethyl-2-oxobutoxy)-2-(2,2-dimethylpropanoyl)-5,6-dimethylcyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2C1O)C(=O)OCC

DOS

IR

Vibrations