Geometry & MOs

Info

ID:	31109
PubChem CID:	854572
Reduced:	O2H8C11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	294.125594
ΔH_f, kcal/mol:	-83.84
Dipole, Da:	4.22
IP(EA), eV:	-9.0(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,14-dioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4(9),11,16(21)-pentaen-15-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3

DOS

IR

Vibrations