Geometry & MOs

Info

ID:	31179
PubChem CID:	855009
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-149.97
Dipole, Da:	5.9
IP(EA), eV:	-9.23(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,3-dimethyl-2-oxobutoxy)-3,4-dimethylchromen-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C(C)(C)C

DOS

IR

Vibrations