Geometry & MOs

Info

ID:	21691
PubChem CID:	589538
Reduced:	OC11H12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	320.17763
ΔH_f, kcal/mol:	-64.1
Dipole, Da:	4.1
IP(EA), eV:	-8.32(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,13-trimethyl-4,14-dioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-5,7,9,15,17,19-hexaene

Drug info:

PubChemData

Smile

CC1(C2C(CC3(CC2C4=CC=CC=C4O3)C)C5=CC=CC=C5O1)C

DOS

IR

Vibrations