Geometry & MOs

Info

ID:	31178
PubChem CID:	855008
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-135.54
Dipole, Da:	6.13
IP(EA), eV:	-9.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)COC1=CC2=C(C=C1)C=CC(=O)O2

DOS

IR

Vibrations