Geometry & MOs

Info

ID:	31177
PubChem CID:	855006
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-143.31
Dipole, Da:	7.02
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,3-dimethyl-2-oxobutoxy)chromen-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations